input word = C00054506

Metabolite InformationStructural formula
Name 6-O-Demethylnigerone
Formula C31H24O10
Mw 556.13694699
CAS RN 76045-68-6
C_ID C00054506
InChIKey YPBKRWIKGTUGIL-UHFFFAOYSA-N
InChICode InChI=1S/C31H24O10/c1-12-6-18(32)26-28(35)22-16(8-14(37-3)10-20(22)34)24(30(26)40-12)25-17-9-15(38-4)11-21(39-5)23(17)29(36)27-19(33)7-13(2)41-31(25)27/h6-11,34-36H,1-5H3
SMILES COc1cc(O)c2c(O)c3c(=O)cc(C)oc3c(-c3c4cc(OC)cc(OC)c4c(O)c4c(=O)cc(C)oc34)c2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus niger Ref.
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OrganismAspergillus niger
ReferenceGorst-Allman, C.P. et al., JCS Perkin 1, 1980, 2474-2479 (isol, uv, ir, pmr, cmr)