All Compounds in Database

Record▼▲ Name▼▲ Formula▼▲ Exact Mass▼▲ InChIKey▼▲ Proton NMR▼▲ Carbon NMR▼▲
6027 SCHEMBL3339308 SCHEMBL3339308 SCHEMBL3339308 C24H38O5 406.272 InChIKey=JVKGUKYXQMTNOK-XSMZZKNVSA-N No Yes
6028 Vitexilactone Vitexilactone Vitexilactone C22H34O5 378.241 InChIKey=FBWWXAGANVJTLU-HEXLTJKYSA-N No Yes
6029 Isoozic acid Isoozic acid Isoozic acid C20H30O2 302.225 InChIKey=JEGUVXRNDRXUDN-UMGGQSCQSA-N No Yes
6030 Ent-methylisoozate dimer Ent-methylisoozate dimer Ent-methylisoozate dimer C42H64O4 632.480 InChIKey=FEDVOJBETKNLSY-AQRVLINCSA-N No Yes
6031 Ent-13'-nor-13'-oxomethylisoozate dimer Ent-13'-nor-13'-oxomethylisoozate dimer Ent-13'-nor-13'-oxomethylisoozate dimer C41H62O5 634.460 InChIKey=WQLFXXMSVDKBCS-UGUVWCGDSA-N No Yes
6032 Ent-13-epoximethylisoozate dimer Ent-13-epoximethylisoozate dimer Ent-13-epoximethylisoozate dimer C42H64O5 648.475 InChIKey=POHLKKWPTNFUQM-QBKTZPOFSA-N No Yes
6033 Crotonadiol Crotonadiol Crotonadiol C20H34O2 306.256 InChIKey=QSQOTWULYOYGRR-UMJMDWPGSA-N No Yes
6034 Crotonadiol Crotonadiol Crotonadiol C24H38O4 390.277 InChIKey=HRUCEYHLPBZDTE-TZRTWNLFSA-N No Yes
6035 (12E)-Labda-7,12,14-triene (12E)-Labda-7,12,14-triene (12E)-Labda-7,12,14-triene C20H32 272.250 InChIKey=AAWKCAAKYFTATH-DIUMXTPXSA-N No Yes
6036 (12E)-Labda-7,12,14-trien-20-al (12E)-Labda-7,12,14-trien-20-al (12E)-Labda-7,12,14-trien-20-al C20H30O1 286.230 InChIKey=BEOWFWZWDOHYTG-KQYTWQGKSA-N No Yes
6037 (12E)-Labda-7,12,14-trien-20-ol (12E)-Labda-7,12,14-trien-20-ol (12E)-Labda-7,12,14-trien-20-ol C20H32O1 288.245 InChIKey=HVPMHEDWSXRPRS-KQYTWQGKSA-N No Yes
6038 (12E)-Labda-7,12,14-trien-20-oic acid (12E)-Labda-7,12,14-trien-20-oic acid (12E)-Labda-7,12,14-trien-20-oic acid C20H30O2 302.225 InChIKey=OYARUPGUBJDJCZ-MDSDPEQZSA-N No Yes
6039 Methyl labda-7,12(E),14-triene-17-oate Methyl labda-7,12(E),14-triene-17-oate Methyl labda-7,12(E),14-triene-17-oate C21H32O2 316.240 InChIKey=CTBUCQNTSSOSEL-IWDLQZDVSA-N No Yes
6040 Moldenin Moldenin Moldenin C40H66O4 610.496 InChIKey=WWGJIUMHLNAQGO-FDLZVUMRSA-N No Yes
6041 (+)-3-Ketomanoyl oxide (+)-3-Ketomanoyl oxide (+)-3-Ketomanoyl oxide C20H32O2 304.240 InChIKey=JICALWDNUXLSSY-SBCNTATESA-N No Yes
6042 Mopaneol B Mopaneol B Mopaneol B C20H36O3 324.266 InChIKey=IFDKAJZHSHFNDP-YANDEMMWSA-N No Yes
6043 Mopaneol B Mopaneol B Mopaneol B C20H36O3 324.266 InChIKey=IFDKAJZHSHFNDP-YANDEMMWSA-N No Yes
6045 Excoecarin R1 methyl ester Excoecarin R1 methyl ester Excoecarin R1 methyl ester C43H70O11 762.492 InChIKey=JJFAOSZAGSHMFF-PSJUGSKCSA-N No Yes
6046 Excoecarin R2 methyl ester Excoecarin R2 methyl ester Excoecarin R2 methyl ester C43H70O11 762.492 InChIKey=CVXBQFAIYUSRPV-XUXZYUPLSA-N No Yes
6047 8b,17-Epoxy-3b,7b-dihydroxy-12(E)-labden-16,15-olide 8b,17-Epoxy-3b,7b-dihydroxy-12(E)-labden-16,15-olide 8b,17-Epoxy-3b,7b-dihydroxy-12(E)-labden-16,15-olide C20H30O5 350.209 InChIKey=NREPZLXPISUPRB-MVSHXYLNSA-N No Yes
6048 Methyl 8b,17-epoxy-3b,7b,15-trihydroxy-12(E)-labden-16-oate Methyl 8b,17-epoxy-3b,7b,15-trihydroxy-12(E)-labden-16-oate Methyl 8b,17-epoxy-3b,7b,15-trihydroxy-12(E)-labden-16-oate C21H34O6 382.236 InChIKey=VCHRMQOUVAQSIN-VAOGIQTASA-N No Yes
6049 3b,7b,8b,12c,17-Pentahydroxylabdan-16,15-olide 3b,7b,8b,12c,17-Pentahydroxylabdan-16,15-olide 3b,7b,8b,12c,17-Pentahydroxylabdan-16,15-olide C20H34O7 386.230 InChIKey=UGNCJOONGJJUTN-FMUYCNSYSA-N No Yes
6050 14β,15β-epoxy-3β-hydroxyserratan-21β-ol 14β,15β-epoxy-3β-hydroxyserratan-21β-ol 14β,15β-epoxy-3β-hydroxyserratan-21β-ol C30H50O3 458.376 InChIKey=KBPDQXXAYOMILW-SIRIYIFESA-N No Yes
6051 14β,15β-epoxy-3β-hydroxyserratan-21α-ol 14β,15β-epoxy-3β-hydroxyserratan-21α-ol 14β,15β-epoxy-3β-hydroxyserratan-21α-ol C30H50O3 458.376 InChIKey=KBPDQXXAYOMILW-FSHVKHEYSA-N No Yes
6052 14β,15β-epoxy-3β-hydroxyserratan-21α-ol-3β-o-acetate 14β,15β-epoxy-3β-hydroxyserratan-21α-ol-3β-o-acetate 14β,15β-epoxy-3β-hydroxyserratan-21α-ol-3β-o-acetate C32H52O4 500.387 InChIKey=AOUOJKOZFHRAFF-SZZPHUHDSA-N No Yes
6053 C31H52O3 472.392 InChIKey=JLVFUOJSDNKDRR-AMPXSFLISA-N No Yes
6054 13β,14β-epoxy-3β-methoxyserratan-21β-ol 13β,14β-epoxy-3β-methoxyserratan-21β-ol 13β,14β-epoxy-3β-methoxyserratan-21β-ol C31H52O3 472.392 InChIKey=KXYFBHNGKKOKLF-VCLXTAIVSA-N No Yes
6055 13β,14β-epoxy-3β-methoxyserratan-21β-ol 13β,14β-epoxy-3β-methoxyserratan-21β-ol 13β,14β-epoxy-3β-methoxyserratan-21β-ol C33H54O4 514.402 InChIKey=YMYZAVKWXLWORD-DVHTZYSJSA-N No Yes
6056 Cyrneinas Cyrneinas Cyrneinas C20H28O3 316.204 InChIKey=IXBCZHOTZLYJDA-CUDHKJQZSA-N No Yes
6057 Glaucopine Glaucopine Glaucopine C20H26O4 330.183 InChIKey=KGWCGHWCRHXTPS-OJAHFUOMSA-N No Yes
6058 6β-hydroxy-3-oxo-11α,12α-epoxyolean-28,13β-olide 6β-hydroxy-3-oxo-11α,12α-epoxyolean-28,13β-olide 6β-hydroxy-3-oxo-11α,12α-epoxyolean-28,13β-olide C30H44O5 484.319 InChIKey=BJHPXVYFOSPVSF-PQYJJHRASA-N No Yes
6059 3β,6β-dihydroxy-11α,12α-epoxyolean-28,13β-olide 3β,6β-dihydroxy-11α,12α-epoxyolean-28,13β-olide 3β,6β-dihydroxy-11α,12α-epoxyolean-28,13β-olide C30H46O5 486.335 InChIKey=JKOAMUFXXOUTGI-IVOHIXCDSA-N No Yes
6060 3beta,6beta-Dihydroxy-11-oxo-5alpha-oleana-12-ene-28-oic acid 3beta,6beta-Dihydroxy-11-oxo-5alpha-oleana-12-ene-28-oic acid 3beta,6beta-Dihydroxy-11-oxo-5alpha-oleana-12-ene-28-oic acid C30H46O5 486.335 InChIKey=NWYZSLIMGFTIHU-RZBIXZALSA-N No Yes
6061 3β-hydroxy-12-oxo-13Hα-olean-28,19β-olide 3β-hydroxy-12-oxo-13Hα-olean-28,19β-olide 3β-hydroxy-12-oxo-13Hα-olean-28,19β-olide C30H46O4 470.340 InChIKey=SCCTYGDZBVYNDP-OPRFGOTJSA-N No Yes
6062 Sumaresinolic acid Sumaresinolic acid Sumaresinolic acid C30H46O4 470.340 InChIKey=GBMBQYFNPMVAMS-BOTRXSTOSA-N No Yes
6063 Siaresinolic acid Siaresinolic acid Siaresinolic acid C30H46O4 470.340 InChIKey=NFBBPROWDXTYCL-OEMDQZJXSA-N No Yes
6064 Mucronatone Mucronatone Mucronatone C15H26O2 238.193 InChIKey=VQLQYAMTNKORFK-UHFFFAOYSA-N No Yes
6065 D-Friedoolean-14-ene-3beta-ol 3-[(E)-3-(3,4-dihydroxyphenyl)acrylate] D-Friedoolean-14-ene-3beta-ol 3-[(E)-3-(3,4-dihydroxyphenyl)acrylate] D-Friedoolean-14-ene-3beta-ol 3-[(E)-3-(3,4-dihydroxyphenyl)acrylate] C39H56O4 588.418 InChIKey=YOFAJHKDASWQBG-DIVHEEHWSA-N No Yes
6066 Esculentoic acid A Esculentoic acid A Esculentoic acid A C30H48O3 456.360 InChIKey=CJMVSFMWZIMJHI-DJNBHBMPSA-N No Yes
6067 Esculentoic acid B Esculentoic acid B Esculentoic acid B C30H46O3 454.345 InChIKey=DYZLVARYBQRDCC-HPYPRGRRSA-N No Yes
6068 Aceriphyllic acid A Aceriphyllic acid A Aceriphyllic acid A C30H48O4 472.355 InChIKey=HQGWITLOHQUPBL-RGIWJZQASA-N No Yes
6069 Aceriphyllic acid A Aceriphyllic acid A Aceriphyllic acid A C30H48O4 472.355 InChIKey=VVWRIMSHBALFKN-BWURWWRQSA-N No Yes
6070 Methyl (3β,5ξ,9ξ,14ξ)-3,24-dihydroxyolean-12-en-30-oate Methyl (3β,5ξ,9ξ,14ξ)-3,24-dihydroxyolean-12-en-30-oate Methyl (3β,5ξ,9ξ,14ξ)-3,24-dihydroxyolean-12-en-30-oate C31H50O4 486.371 InChIKey=OLFMGIZTWHFEJC-PADHZNKLSA-N No Yes
6071 C31H50O4 486.371 InChIKey=BSWMHSJYXCCQQQ-IHECTSLTSA-N No Yes
6072 6β-Hydroxyglycyrrhetinic acid 6β-Hydroxyglycyrrhetinic acid 6β-Hydroxyglycyrrhetinic acid C30H46O5 486.335 InChIKey=ZFIIMONKSBSTTA-PXAPVOGOSA-N No Yes
6073 7α-Hydroxyglycyrrhetinic acid 7α-Hydroxyglycyrrhetinic acid 7α-Hydroxyglycyrrhetinic acid C30H46O5 486.335 InChIKey=GLQRCWKWPFKUGX-MDYXLUJJSA-N No Yes
6074 7b-Hydroxyglycyrrhetinic acid 7b-Hydroxyglycyrrhetinic acid 7b-Hydroxyglycyrrhetinic acid C30H46O5 486.335 InChIKey=GLQRCWKWPFKUGX-NUPQZEKHSA-N No Yes
6075 3-O-Acetyl-7?-hydroxyglycerrhetinic acid 3-O-Acetyl-7?-hydroxyglycerrhetinic acid 3-O-Acetyl-7?-hydroxyglycerrhetinic acid C32H48O6 528.345 InChIKey=YUCLJLINABKICT-KBHCJVKZSA-N No Yes
6076 3-Oxo-7 ?-hydroxyglycyrrhetinic acid 3-Oxo-7 ?-hydroxyglycyrrhetinic acid 3-Oxo-7 ?-hydroxyglycyrrhetinic acid C30H44O5 484.319 InChIKey=ZKKYLKFYKWOADW-XLWNCKIFSA-N No Yes
6077 15a-Hydroxyglycyrrhetinic acid 15a-Hydroxyglycyrrhetinic acid 15a-Hydroxyglycyrrhetinic acid C30H46O5 486.335 InChIKey=AZNYAQQKSCLRPZ-IBEPVXCASA-N No Yes