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 C1(=O)C=C([C@@]2([C@H](C1)[C@@]([C@H](CC2)C)(CC/C(=C/C(=O)O)/C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia aethiopica Ref.
PlantaeFabaceaeDetarium microcarpum Ref.
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OrganismXylopia aethiopica
ReferenceMoreira, I. C. et al., Chem. Biodiv., 10, (2013), 1921-1943.