input word = C00012730

Metabolite InformationStructural formula
Name [2S-(2alpha,4alpha,4aalpha,5alpha,8abeta)]-Decahydro-4,5-dihydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid
1beta,9beta-Dihydroxycostic acid
Formula C15H22O4
Mw 266.15180919
CAS RN 94190-57-5
C_ID C00012730 ,
InChIKey SZCYKIWOPBWRQI-XIPBYXJENA-N
InChICode InChI=1S/C15H22O4/c1-8-4-5-12(16)15(3)11(8)6-10(7-13(15)17)9(2)14(18)19/h10-13,16-17H,1-2,4-7H2,3H3,(H,18,19)/t10-,11-,12+,13-,15+/m0/s1
SMILES C=C(C(=O)O)[C@@H]1C[C@H](O)[C@@]2(C)[C@H](O)CCC(=C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeFlourensia macrophylla Ref.
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OrganismFlourensia macrophylla
ReferenceBawdekar,Tetrahedron,21,(1965),1521

Herz,J.Org.Chem.,31,(1966),1632