input word = C00012728

Metabolite InformationStructural formula
Name [2S-(2alpha,4alpha,4aalpha,8abeta)]-Decahydro-4-hydroxy-4a-methyl-a,8-bis(methylene)-2-naphthaleneacetic acid
9beta-Hydroxycostic acid
Formula C15H22O3
Mw 250.15689457
CAS RN 94190-55-3
C_ID C00012728 ,
InChIKey IBJRJSQUSVUUDO-YMCBYEIGNA-N
InChICode InChI=1S/C15H22O3/c1-9-5-4-6-15(3)12(9)7-11(8-13(15)16)10(2)14(17)18/h11-13,16H,1-2,4-8H2,3H3,(H,17,18)/t11-,12+,13+,15+/m1/s1
SMILES C1[C@]2([C@H](C(=C)CC1)C[C@H](C[C@@H]2O)C(=C)C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeFlourensia macrophylla Ref.
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