All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
12053 C-3'-Hydroxy-methylrocaglate C-3'-Hydroxy-methylrocaglate C-3'-Hydroxy-methylrocaglate C28H28O9 508.173 InChIKey=MKTMWKCGQTXSNC-GWNOIRNCSA-N No Yes
12054 C-3'-Methoxy-methylrocaglate C-3'-Methoxy-methylrocaglate C-3'-Methoxy-methylrocaglate C29H29N1O9 535.184 InChIKey=RQJAGENZDNXASS-JNPSFANTSA-N No Yes
12055 C-3'-Hydroxyaglain C C-3'-Hydroxyaglain C C-3'-Hydroxyaglain C C36H42N2O9 646.289 InChIKey=MYBXMIBRAOGBTC-JYBVYHBTSA-N No Yes
12056 C-19,C-3'-Dihydroxyaglain C C-19,C-3'-Dihydroxyaglain C C-19,C-3'-Dihydroxyaglain C C36H42N2O10 662.284 InChIKey=UBINUWSREIMICU-ABZGSVEVSA-N No Yes
12057 C-19-Hydroxy,C-3'-methoxyaglain C-19-Hydroxy,C-3'-methoxyaglain C-19-Hydroxy,C-3'-methoxyaglain C37H44N2O10 676.300 InChIKey=VNXFYHIODJMICD-SPTUBPOSSA-N No Yes
12058 (+)-(E,2S,2'R)-2-methyl-N-[1 '-(10-oxo-3'-phenyl-prop-2'-enyl)pyrrolidin-2'-yl]butanamide (+)-(E,2S,2'R)-2-methyl-N-[1 '-(10-oxo-3'-phenyl-prop-2'-enyl)pyrrolidin-2'-yl]butanamide (+)-(E,2S,2'R)-2-methyl-N-[1 '-(10-oxo-3'-phenyl-prop-2'-enyl)pyrrolidin-2'-yl]butanamide C36H42N2O9 646.289 InChIKey=MYBXMIBRAOGBTC-YJKZHMPSSA-N No Yes
12062 Alhagidin Alhagidin Alhagidin C34H44O20 772.243 InChIKey=RYTOQEJVKIKIBZ-FNEWRYSYSA-N No Yes
12064 Azelin 7-O-(2-O-beta-D-xylopyranosyl-alpha-L-rhamnopyranoside Azelin 7-O-(2-O-beta-D-xylopyranosyl-alpha-L-rhamnopyranoside Azelin 7-O-(2-O-beta-D-xylopyranosyl-alpha-L-rhamnopyranoside C32H38O18 710.206 InChIKey=HFVRSZGPXFXZLJ-DETDWBCYSA-N No Yes
12065 Apigenin 7-O-b-D-apiofuranosyl (1-->6)-b-D-glucopyranoside Apigenin 7-O-b-D-apiofuranosyl (1-->6)-b-D-glucopyranoside Apigenin 7-O-b-D-apiofuranosyl (1-->6)-b-D-glucopyranoside C26H28O14 564.148 InChIKey=OMWBSQBBFSNJKL-WJIQGHJMSA-N No Yes
12066 Acacetin 7-O-b-D-apiofuranosyl (1-->6)-b-D-glucopyranoside Acacetin 7-O-b-D-apiofuranosyl (1-->6)-b-D-glucopyranoside Acacetin 7-O-b-D-apiofuranosyl (1-->6)-b-D-glucopyranoside C27H30O14 578.164 InChIKey=UXCNUAPGAPBOGM-MFYRMPRMSA-N No Yes
12067 3,5,6-Trihydroxy-2-(3,4-dihydroxyphenyl)-7-(6-O-isobutyryl-beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one 3,5,6-Trihydroxy-2-(3,4-dihydroxyphenyl)-7-(6-O-isobutyryl-beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one 3,5,6-Trihydroxy-2-(3,4-dihydroxyphenyl)-7-(6-O-isobutyryl-beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one C25H26O14 550.132 InChIKey=BOULZLPJBSIUKG-QYBYEJDKSA-N No Yes
12068 3,5,6-Trihydroxy-2-(3,4-dihydroxyphenyl)-7-(6-O-isovaleryl-beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one 3,5,6-Trihydroxy-2-(3,4-dihydroxyphenyl)-7-(6-O-isovaleryl-beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one 3,5,6-Trihydroxy-2-(3,4-dihydroxyphenyl)-7-(6-O-isovaleryl-beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one C26H28O14 564.148 InChIKey=JJDVTBGHKGLZLP-HMHWFSEDSA-N No Yes
12069 3,5,6-Trihydroxy-2-(3,4-dihydroxyphenyl)-7-[6-O-(2-methylbutyryl)-beta-D-glucopyranosyloxy]-4H-1-benzopyran-4-one 3,5,6-Trihydroxy-2-(3,4-dihydroxyphenyl)-7-[6-O-(2-methylbutyryl)-beta-D-glucopyranosyloxy]-4H-1-benzopyran-4-one 3,5,6-Trihydroxy-2-(3,4-dihydroxyphenyl)-7-[6-O-(2-methylbutyryl)-beta-D-glucopyranosyloxy]-4H-1-benzopyran-4-one C26H28O14 564.148 InChIKey=GVNUPGMSEOVBKE-TVHRGFIRSA-N No Yes
12070 7'-O-Methylagathisflavone 7'-O-Methylagathisflavone 7'-O-Methylagathisflavone C31H20O10 552.106 InChIKey=KRVFDTUQXBBXQN-UHFFFAOYSA-N No Yes
12071 5,5',7-Triacetoxy-7'-methoxy-2,2'-bis(4-acetoxyphenyl)-6,8'-bi[4H-1-benzopyran]-4,4'-dione 5,5',7-Triacetoxy-7'-methoxy-2,2'-bis(4-acetoxyphenyl)-6,8'-bi[4H-1-benzopyran]-4,4'-dione 5,5',7-Triacetoxy-7'-methoxy-2,2'-bis(4-acetoxyphenyl)-6,8'-bi[4H-1-benzopyran]-4,4'-dione C41H30O15 762.158 InChIKey=BJZWEUVNJZEVIB-UHFFFAOYSA-N No Yes
12072 Agathisflavone 4',4''',7,7''-tetramethyl ether Agathisflavone 4',4''',7,7''-tetramethyl ether Agathisflavone 4',4''',7,7''-tetramethyl ether C34H26O10 594.153 InChIKey=JEKGIMFFTVOJKD-UHFFFAOYSA-N No Yes
12073 Trojanoside H Trojanoside H Trojanoside H C46H76O18 916.503 InChIKey=VDLLVXHQXOOBCW-OBVIKKLCSA-N No Yes
12074 Maackiain Maackiain Maackiain C16H12O5 284.068 InChIKey=HUKSJTUUSUGIDC-UHFFFAOYSA-N No Yes
12075 3,4-Dimethoxy-1-vinylbenzene 3,4-Dimethoxy-1-vinylbenzene 3,4-Dimethoxy-1-vinylbenzene C10H12O2 164.084 InChIKey=NJXYTXADXSRFTJ-UHFFFAOYSA-N No Yes
12076 2,4,5-Trimethoxy-1-vinylbenzene 2,4,5-Trimethoxy-1-vinylbenzene 2,4,5-Trimethoxy-1-vinylbenzene C11H14O3 194.094 InChIKey=DAINMNHDGRVBQF-UHFFFAOYSA-N No Yes
12078 Hispidulin 4'-glucoside Hispidulin 4'-glucoside Hispidulin 4'-glucoside C22H22O11 462.116 InChIKey=MORLNMAFXVHNAI-IWLDQSELSA-N No Yes
12079 Nepetin 4'-glucoside Nepetin 4'-glucoside Nepetin 4'-glucoside C22H22O12 478.111 InChIKey=FKEFURJFBYTFMP-IWLDQSELSA-N No Yes
12080 3-[[2-O,3-O-Di(beta-D-glucopyranosyl)-alpha-L-rhamnopyranosyl]oxy]-4',5,7-trihydroxyflavone 3-[[2-O,3-O-Di(beta-D-glucopyranosyl)-alpha-L-rhamnopyranosyl]oxy]-4',5,7-trihydroxyflavone 3-[[2-O,3-O-Di(beta-D-glucopyranosyl)-alpha-L-rhamnopyranosyl]oxy]-4',5,7-trihydroxyflavone C33H40O20 756.211 InChIKey=YSBRVZWBIMCUQV-HLTZAYQESA-N No Yes
12081 Kaempferol-3-O-glucosyl(1-2)rhamnoside Kaempferol-3-O-glucosyl(1-2)rhamnoside Kaempferol-3-O-glucosyl(1-2)rhamnoside C27H30O15 594.158 InChIKey=BCNBWICEIXAVQF-DLVIKRKZSA-N No Yes
12082 kaempferol 3-neohesperidoside kaempferol 3-neohesperidoside kaempferol 3-neohesperidoside C27H30O15 594.158 InChIKey=OHOBPOYHROOXEI-JWMUNMLDSA-N No Yes
12083 Isorhamnetin-3-O-neohespeidoside Isorhamnetin-3-O-neohespeidoside Isorhamnetin-3-O-neohespeidoside C28H32O16 624.169 InChIKey=QHLKSZBFIJJREC-SPSUIZEHSA-N No Yes
12084 Sophoraflavonoloside Sophoraflavonoloside Sophoraflavonoloside C27H30O16 610.153 InChIKey=LKZDFKLGDGSGEO-UJECXLDQSA-N No Yes
12085 Baimaside Baimaside Baimaside C27H30O17 626.148 InChIKey=RDUAJIJVNHKTQC-UJECXLDQSA-N No Yes
12086 CHEMBL2206208 CHEMBL2206208 CHEMBL2206208 C27H30O16 610.153 InChIKey=CRHCCDOCWGWLSH-DEFKTLOSSA-N No Yes
12087 3,4'-Bis(alpha-L-rhamnopyranosyloxy)-3',5,5',7-tetrahydroxyflavone 3,4'-Bis(alpha-L-rhamnopyranosyloxy)-3',5,5',7-tetrahydroxyflavone 3,4'-Bis(alpha-L-rhamnopyranosyloxy)-3',5,5',7-tetrahydroxyflavone C27H30O16 610.153 InChIKey=FILUBISJJZTQMB-FPBUOGHKSA-N No Yes
12088 3,4'-Di(alpha-L-rhamnopyranosyloxy)-3',5,5'-trihydroxy-7-methoxyflavone 3,4'-Di(alpha-L-rhamnopyranosyloxy)-3',5,5'-trihydroxy-7-methoxyflavone 3,4'-Di(alpha-L-rhamnopyranosyloxy)-3',5,5'-trihydroxy-7-methoxyflavone C28H32O16 624.169 InChIKey=ROPSGBPJLGYBSZ-LZVVBHCVSA-N No Yes
12089 Myricetin 4'-methyl ether 3-O-β-D-galactopyranoside Myricetin 4'-methyl ether 3-O-β-D-galactopyranoside Myricetin 4'-methyl ether 3-O-β-D-galactopyranoside C22H22O13 494.106 InChIKey=SCHVWZLYQPLPJV-BRWKRHNKSA-N No Yes
12090 5,7,8-Trihydroxy-4'-methoxyflavanone 5,7,8-Trihydroxy-4'-methoxyflavanone 5,7,8-Trihydroxy-4'-methoxyflavanone C16H14O6 302.079 InChIKey=OVDFVZLTXMMPDE-ZDUSSCGKSA-N No Yes
12091 3-[(2-O-alpha-L-Rhamnopyranosyl-alpha-L-rhamnopyranosyl)oxy]-3',4',5,5',7-pentahydroxyflavone 3-[(2-O-alpha-L-Rhamnopyranosyl-alpha-L-rhamnopyranosyl)oxy]-3',4',5,5',7-pentahydroxyflavone 3-[(2-O-alpha-L-Rhamnopyranosyl-alpha-L-rhamnopyranosyl)oxy]-3',4',5,5',7-pentahydroxyflavone C27H30O16 610.153 InChIKey=UMLQYKKIQCBBDM-XYSSDXFWSA-N No Yes
12092 Myricetin 3-rhamnoside Myricetin 3-rhamnoside Myricetin 3-rhamnoside C21H20O12 464.095 InChIKey=DCYOADKBABEMIQ-OWMUPTOHSA-N No Yes
12094 Quercetin-3-rhamnoside Quercetin-3-rhamnoside Quercetin-3-rhamnoside C21H20O11 448.101 InChIKey=OXGUCUVFOIWWQJ-HQBVPOQASA-N No Yes
12095 Kaempferol 3-rhamnoside Kaempferol 3-rhamnoside Kaempferol 3-rhamnoside C21H20O10 432.106 InChIKey=SOSLMHZOJATCCP-AEIZVZFYSA-N No Yes
12096 Quercetin 3-(3''-acetylrhamnoside) Quercetin 3-(3''-acetylrhamnoside) Quercetin 3-(3''-acetylrhamnoside) C23H22O12 490.111 InChIKey=WIEJIBAASUWBGY-WSOJGYHASA-N No Yes
12097 Quercetin 3-(2''-acetylrhamnoside) Quercetin 3-(2''-acetylrhamnoside) Quercetin 3-(2''-acetylrhamnoside) C23H22O12 490.111 InChIKey=QYSPPPJDISHVRH-ZKLNTULWSA-N No Yes
12098 Quercetin 3-O-α-L-(2-O-β-D-glucopyranosyl)rhamnopyranoside-7-O-β-D-glucopyranoside Quercetin 3-O-α-L-(2-O-β-D-glucopyranosyl)rhamnopyranoside-7-O-β-D-glucopyranoside Quercetin 3-O-α-L-(2-O-β-D-glucopyranosyl)rhamnopyranoside-7-O-β-D-glucopyranoside C33H40O21 772.206 InChIKey=NBUFNRXXPHGPRF-INGGROSUSA-N No Yes
12099 Myricetin 3-O-α-L-(2-O-β-D-glucopyranosyl)rhamnopyranoside-7-O-β-D-glucopyranoside Myricetin 3-O-α-L-(2-O-β-D-glucopyranosyl)rhamnopyranoside-7-O-β-D-glucopyranoside Myricetin 3-O-α-L-(2-O-β-D-glucopyranosyl)rhamnopyranoside-7-O-β-D-glucopyranoside C33H40O22 788.201 InChIKey=AGCJXRMKEHRGIH-YBAQHRTESA-N No Yes
12100 Kaempferol 3-O-α-L-(2-O-β-D-glucopyranosyl)rhamnopyranoside-7-O-β-D-(6-O-acetyl)glucopyranoside Kaempferol 3-O-α-L-(2-O-β-D-glucopyranosyl)rhamnopyranoside-7-O-β-D-(6-O-acetyl)glucopyranoside Kaempferol 3-O-α-L-(2-O-β-D-glucopyranosyl)rhamnopyranoside-7-O-β-D-(6-O-acetyl)glucopyranoside C35H42O21 798.222 InChIKey=APTFERIYNVGEPM-VJEARUSESA-N No Yes
12101 Dihydrokaempferol 7-O-β-D-glucopyranoside Dihydrokaempferol 7-O-β-D-glucopyranoside Dihydrokaempferol 7-O-β-D-glucopyranoside C21H22O11 450.116 InChIKey=UDIXYHJHYVDNOG-JUIPTLLLSA-N No Yes
12102 Isorhamnetin 3,4'-di-O-β-D-glucopyranoside Isorhamnetin 3,4'-di-O-β-D-glucopyranoside Isorhamnetin 3,4'-di-O-β-D-glucopyranoside C28H32O17 640.164 InChIKey=VKVBSQRURLRCHO-QDYVESOYSA-N No Yes
12103 Polycaudoside Polycaudoside Polycaudoside C25H28O13 536.153 InChIKey=SACUUGUGVGKUPL-SEUVGDADSA-N No Yes
12104 Benzoylmangiferin Benzoylmangiferin Benzoylmangiferin C26H22O12 526.111 InChIKey=AVPLATUJXHPZBU-FUFTYFEXSA-N No Yes
12105 9H-Xanthen-9-one, 7-hydroxy-1-methoxy- 9H-Xanthen-9-one, 7-hydroxy-1-methoxy- 9H-Xanthen-9-one, 7-hydroxy-1-methoxy- C14H10O4 242.058 InChIKey=FWBCCNVJDMEVSM-UHFFFAOYSA-N No Yes
12106 1,7,8-Trihydroxyxanthone 1,7,8-Trihydroxyxanthone 1,7,8-Trihydroxyxanthone C13H8O5 244.037 InChIKey=BBRITNIBPCFOEY-UHFFFAOYSA-N No Yes
12107 Irisone A Irisone A Irisone A C17H12O6 312.063 InChIKey=DWGZUNVIWVMPBQ-UHFFFAOYSA-N No Yes
12108 Wighteone Wighteone Wighteone C20H18O5 338.115 InChIKey=KIMDVVKVNNSHGZ-UHFFFAOYSA-N No Yes