input word = C00022670

Metabolite InformationStructural formula
Name 3beta,5alpha-Dihydroxycostic acid methyl ester
Formula C16H24O4
Mw 280.16745925
CAS RN
C_ID C00022670 ,
InChIKey RWRPPUAVXVJQRF-FFQMJFCGNA-N
InChICode InChI=1S/C16H24O4/c1-10(14(18)20-4)12-5-7-15(3)8-6-13(17)11(2)16(15,19)9-12/h12-13,17,19H,1-2,5-9H2,3-4H3/t12-,13+,15+,16-/m1/s1
SMILES C1[C@@H](C(=C)[C@]2([C@](C1)(CC[C@H](C2)C(=C)C(=O)OC)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEriocephalus pauperrimus Ref.
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OrganismEriocephalus pauperrimus
ReferenceZdero,Phytochem.,26,(1987),2763