input word = C00037570

Metabolite InformationStructural formula
Name Ochratoxin B
Formula C20H19NO6
Mw 369.12123735
CAS RN 4825-86-9
C_ID C00037570 ,
InChIKey DAEYIVCTQUFNTM-VFYXSWHGNA-N
InChICode InChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1
SMILES c12c(c(c(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)O)C(=O)O[C@@H](C2)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe L-His
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus ochraceus Ref.
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OrganismAspergillus ochraceus
ReferenceHarris,Phytochem.,58,(2001),703