CHEBI:209153 - Oxisterigmatocystin D

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ChEBI Name Oxisterigmatocystin D
ChEBI ID CHEBI:209153
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H18O9
Net Charge 0
Average Mass 414.366
Monoisotopic Mass 414.09508
InChI InChI=1S/C21H18O9/c1-8(22)27-14-6-9-15-13(28-21(9)29-14)7-12(26-3)17-18(24)16-10(23)4-5-11(25-2)19(16)30-20(15)17/h4-5,7,9,14,21,23H,6H2,1-3H3/t9-,14-,21-/m0/s1
InChIKey VZHNKMOIUZYDEK-RMIDZRHBSA-N
SMILES O=C1C2=C(OC3=C1C(O)=CC=C3OC)C4=C(O[C@@H]5[C@H]4C[C@@H](OC(=O)C)O5)C=C2OC
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
Roles Classification
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
(via sterigmatocystins )
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ChEBI Ontology
Outgoing Oxisterigmatocystin D (CHEBI:209153) is a sterigmatocystins (CHEBI:26759)
IUPAC Name
[(3S,5R,7S)-15-hydroxy-11,18-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,9,11,14,16,18-hexaen-5-yl] acetate
Manual Xref Database
78442036 ChemSpider
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