input word = C00012729

Metabolite InformationStructural formula
Name [2R-(2alpha,3alpha,4alpha,4aalpha,8abeta)]-Decahydro-3,4-dihydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid
8beta,9beta-Dihydroxycostic acid
Formula C15H22O4
Mw 266.15180919
CAS RN 94190-56-4
C_ID C00012729 ,
InChIKey KHZYQMCNLHYXTR-XTISIQRRNA-N
InChICode InChI=1S/C15H22O4/c1-8-5-4-6-15(3)11(8)7-10(9(2)14(18)19)12(16)13(15)17/h10-13,16-17H,1-2,4-7H2,3H3,(H,18,19)/t10-,11-,12-,13-,15-/m0/s1
SMILES C=C1CCC[C@@]2(C)[C@H]1CC(C(=C)C(=O)O)[C@H](O)[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeFlourensia macrophylla Ref.
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