input word = C00055353

Metabolite InformationStructural formula
Name Aurasperone B
Formula C32H30O12
Mw 606.17372642
CAS RN 41689-67-2
C_ID C00055353
InChIKey VIFQAHKDYKZMMS-UHFFFAOYSA-N
InChICode InChI=1S/C32H30O12/c1-31(37)11-16(33)24-20(43-31)8-13-7-18(40-4)26(29(42-6)21(13)27(24)35)23-15-9-14(39-3)10-19(41-5)22(15)28(36)25-17(34)12-32(2,38)44-30(23)25/h7-10,35-38H,11-12H2,1-6H3
SMILES COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc6c(c(O)c5c4OC)C(=O)CC(C)(O)O6)c2c1)OC(C)(O)CC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus awamori Ref.
FungiTrichocomaceaeAspergillus fonsecaeus Ref.
FungiTrichocomaceaeAspergillus niger Ref.
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OrganismAspergillus niger
ReferenceTamura, T. et al., Agric. Biol. Chem., 1966, 30, 107

683 (isol)