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.
PlantaeMalvaceaeSida rhombifolia Ref.
PlantaeMalvaceaeThespesia populnea Ref.
PlantaeRosaceaeKerria japonica Ref.
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OrganismThespesia populnea
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter50