input word = C00003008

Metabolite InformationStructural formula
Name Ochratoxin A
Formula C20H18ClNO6
Mw 403.08226503
CAS RN 303-47-9
C_ID C00003008 ,
InChIKey RWQKHEORZBHNRI-PJJZDBKBNA-N
InChICode InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1
SMILES c1ccc(cc1)C[C@H](NC(=O)c1cc(c2c(c1O)C(=O)O[C@@H](C2)C)Cl)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus melleus Ref.
FungiTrichocomaceaeAspergillus ochraceus Ref.
FungiTrichocomaceaeAspergillus spp. Ref.
FungiTrichocomaceaeAspergillus sulphureus Ref.
FungiTrichocomaceaePenicillium spp. Ref.
FungiTrichocomaceaePenicillium viridicatum Ref.
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OrganismAspergillus spp.
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter47