input word = C00003001

Metabolite InformationStructural formula
Name Kolanone
Formula C33H42O4
Mw 502.30830983
CAS RN 81827-55-6
C_ID C00003001 ,
InChIKey QRKXZTBPUWMKHJ-VJIZVZCTNA-N
InChICode InChI=1S/C33H42O4/c1-22(2)12-11-13-25(7)19-21-33(20-18-24(5)6)31(36)27(17-16-23(3)4)30(35)28(32(33)37)29(34)26-14-9-8-10-15-26/h8-10,12,14-16,18-19,35-36H,11,13,17,20-21H2,1-7H3/b25-19+/t33-/m1/s1
SMILES c1cccc(c1)C(=O)C1=C(C(=C([C@@](C1=O)(CC=C(C)C)C/C=C(\C)/CCC=C(C)C)O)CC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia kola Ref.
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