input word = C00022579

Metabolite InformationStructural formula
Name 6alpha-Hydroxy-7-oxo-13,14-dihydrokolavenic acid
Formula C20H32O4
Mw 336.23005951
CAS RN 129350-05-6
C_ID C00022579 ,
InChIKey COEMDYUEJBIANN-SGQHHWAFNA-N
InChICode InChI=1S/C20H32O4/c1-12(11-16(21)22)9-10-19(4)14(3)17(23)18(24)20(5)13(2)7-6-8-15(19)20/h7,12,14-15,18,24H,6,8-11H2,1-5H3,(H,21,22)/t12-,14+,15+,18-,19+,20-/m0/s1
SMILES CC1=CCC[C@@H]2[C@@](C)(CCC(C)CC(=O)O)[C@H](C)C(=O)[C@H](O)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia paniculata Ref.
zoom in