input word = C00003136

Metabolite InformationStructural formula
Name Gossypol
Formula C30H30O8
Mw 518.19406794
CAS RN 303-45-7
C_ID C00003136 ,
InChIKey QBKSWRVVCFFDOT-UHFFFAOYSA-N
InChICode InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
SMILES c1(c(c2c(c(c1O)C=O)c(c(c(c2)C)c1c(cc2c(c1O)c(c(c(c2C(C)C)O)O)C=O)C)O)C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPlectosphaerellaceaeVerticillium albo-atrum Ref.
PlantaeBombacaceaeMontezuma speciosissima Ref.
PlantaeCombretaceaeCalycopteris floribunda Ref.
PlantaeMalvaceaeGossypium barbadense Ref.
PlantaeMalvaceaeGossypium herbaceum Ref.
PlantaeMalvaceaeGossypium hirsutum Ref.
PlantaeMalvaceaeGossypium mexicanum Ref.
PlantaeMalvaceaeGossypium sp. Ref.
PlantaeMalvaceaeThespesia populnea Ref.
PlantaeRosaceaeKerria japonica Ref.
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OrganismMontezuma speciosissima
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter50