input word = C00050746

Metabolite InformationStructural formula
Name 6-Methoxygossypol
6-O-Methylgossypol
Formula C31H32O8
Mw 532.209718
CAS RN 54302-42-0
C_ID C00050746
InChIKey QSEHQWFPCMNMPH-UHFFFAOYSA-N
InChICode InChI=1S/C31H32O8/c1-12(2)20-16-8-14(5)22(28(36)24(16)18(10-32)26(34)30(20)38)23-15(6)9-17-21(13(3)4)31(39-7)27(35)19(11-33)25(17)29(23)37/h8-13,34-38H,1-7H3
SMILES COc1c(O)c(C=O)c2c(O)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O)c(C)cc2c1C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeGossypium herbaceum Ref.
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