input word = C00019012

Metabolite InformationStructural formula
Name (2E,6S)- 6-[(1R,3aS,5Z,9R,10Z,12aR)-1,2,3,3a,4,7,8,9,12,12a-Decahydro-9-hydroxy-3a,6,10-trimethyl-1-cyclopentacycloundecenyl]-2-methyl-2-heptenoic acid
Formula C25H40O3
Mw 388.29774514
CAS RN 477807-59-3
C_ID C00019012 ,
InChIKey BSSJWMDJGNMFKS-WRRJAQGENA-N
InChICode InChI=1S/C25H40O3/c1-17-9-12-23(26)19(3)10-11-22-21(14-16-25(22,5)15-13-17)18(2)7-6-8-20(4)24(27)28/h8,10,13,18,21-23,26H,6-7,9,11-12,14-16H2,1-5H3,(H,27,28)/b17-13-,19-10-,20-8+/t18-,21+,22+,23+,25+/m0/s1
SMILES C/C1=C/C[C@]2(C)CCC([C@@H](C)CC/C=C(C)C(=O)O)[C@H]2C/C=C(/C)[C@H](O)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelastomataceaeHenriettella fascicularis Ref.
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OrganismHenriettella fascicularis
ReferenceCalderon,J. Nat. Prod.,65,(2002),1749