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CHEBI:209153 - Oxisterigmatocystin D

ChEBI IDCHEBI:209153
ChEBI NameOxisterigmatocystin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O9
Net Charge0
Average Mass414.366
Monoisotopic Mass414.09508
SMILESCOc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@@H]1C[C@@H](OC(C)=O)O[C@@H]1O4
InChIInChI=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
InChIKeyVZHNKMOIUZYDEK-RMIDZRHBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25038471)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78442036ChemSpider