input word = C00022581

Metabolite InformationStructural formula
Name 6alpha-Isobutyryloxy-7-oxo-13,14-dihydrokolavenic acid
Formula C24H40O4
Mw 392.29265977
CAS RN
C_ID C00022581 ,
InChIKey WVWFKERWMCGXGZ-ZJSDEQBDNA-N
InChICode InChI=1S/C24H40O4/c1-15(2)14-28-22-21(27)18(5)23(6,12-11-16(3)13-20(25)26)19-10-8-9-17(4)24(19,22)7/h9,15-16,18-19,22H,8,10-14H2,1-7H3,(H,25,26)/t16-,18+,19+,22-,23+,24-/m0/s1
SMILES CC1=CCC[C@@H]2[C@@](C)(CCC(C)CC(=O)O)[C@H](C)C(=O)[C@H](OCC(C)C)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia paniculata Ref.
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