input word = C00022580

Metabolite InformationStructural formula
Name 6alpha-Angeloyloxy-7-oxo-13,14-dihydrokolavenic acid
Formula C25H38O5
Mw 418.27192432
CAS RN 129350-06-7
C_ID C00022580 ,
InChIKey XCQRBNYBYVJECB-CHSYQFCENA-N
InChICode InChI=1S/C25H38O5/c1-8-16(3)23(29)30-22-21(28)18(5)24(6,13-12-15(2)14-20(26)27)19-11-9-10-17(4)25(19,22)7/h8,10,15,18-19,22H,9,11-14H2,1-7H3,(H,26,27)/b16-8-/t15-,18-,19-,22+,24-,25+/m1/s1
SMILES C/C=C(/C)C(=O)O[C@H]1C(=O)[C@@H](C)[C@](C)(CCC(C)CC(=O)O)[C@H]2CCC=C(C)[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia paniculata Ref.
zoom in