input word = C00058248

Metabolite InformationStructural formula
Name Valenciachrome
Formula C27H40O3
Mw 412.29774514
CAS RN 88853-51-4
C_ID C00058248
InChIKey MLVPRCYREVPVES-GGWWWUKCSA-N
InChICode InChI=1S/C25H36O3/c1-18(10-7-8-11-19(2)17-26)12-9-13-20(3)22-14-23-24(4,5)15-21(27)16-25(23,6)28-22/h7-14,21-22,26-27H,15-17H2,1-6H3/b8-7+,12-9+,18-10+,19-11+,20-13+
SMILES CC(/C=C/C=C(C)C1C=C2C(C)(C)CC(O)CC2(C)O1)=CC=CC=C(/C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sp. Ref.
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