input word = C00041263

Metabolite InformationStructural formula
Name 2-Oxokolavenic acid
Formula C20H30O3
Mw 318.21949482
CAS RN 885677-26-9
C_ID C00041263 ,
InChIKey SLMFLTPPPXRYHP-CDYWYRSWNA-N
InChICode InChI=1S/C20H30O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)11-16(21)12-17(19)20/h10-11,14,17H,6-9,12H2,1-5H3,(H,22,23)/b13-10+/t14-,17+,19+,20+/m0/s1
SMILES CC1=CC(=O)C[C@@H]2[C@](C)(CC/C(C)=C/C(=O)O)[C@@H](C)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia aethiopica Ref.
PlantaeFabaceaeDetarium microcarpum Ref.
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