input word = C00002416

Metabolite InformationStructural formula
Name Aurasperone D
Formula C31H24O10
Mw 556.13694699
CAS RN 67924-64-5
C_ID C00002416 ,
InChIKey DVSATZLPJVYIRI-UHFFFAOYSA-N
InChICode InChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-20(38-4)27(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-19(34)23(16)29(36)26-18(33)7-13(2)41-31(24)26/h6-11,34-36H,1-5H3
SMILES c12c(c(cc(c1)OC)O)c(c1c(c2c2c(cc3c(c2OC)c(c2c(c3)oc(cc2=O)C)O)OC)oc(cc1=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus niger Ref.
PlantaeAnacardiaceaeMangifera indica Ref.
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