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 CC(C)=CCC/C(C)=C/C[C@@]1(CC=C(C)C)C(=O)C(C(=O)c2ccccc2)=C(O)C(CC=C(C)C)=C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia kola Ref.
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