CHEBI:201299 - Oxisterigmatocystin A

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ChEBI Name Oxisterigmatocystin A
ChEBI ID CHEBI:201299
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H18O8
Net Charge 0
Average Mass 386.356
Monoisotopic Mass 386.10017
InChI InChI=1S/C20H18O8/c1-23-10-5-4-9(21)15-17(22)16-11(24-2)7-12-14(19(16)28-18(10)15)8-6-13(25-3)27-20(8)26-12/h4-5,7-8,13,20-21H,6H2,1-3H3/t8-,13+,20-/m0/s1
InChIKey JOXQRCQSTGKMFA-IBXPANGUSA-N
SMILES O=C1C2=C(OC3=C1C(O)=CC=C3OC)C4=C(O[C@@H]5[C@H]4C[C@H](OC)O5)C=C2OC
Metabolite of Species Details
Aspergillus versicolor (NCBI:txid46472) See: PubMed
Roles Classification
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
(via sterigmatocystins )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Oxisterigmatocystin A (CHEBI:201299) is a sterigmatocystins (CHEBI:26759)
IUPAC Name
(3S,5R,7S)-15-hydroxy-5,11,18-trimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,9,11,14,16,18-hexaen-13-one
Manual Xref Database
27025653 ChemSpider
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