CHEBI:214495 - Sterigmatocystin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Sterigmatocystin B
ChEBI ID CHEBI:214495
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H22O7
Net Charge 0
Average Mass 398.411
Monoisotopic Mass 398.13655
InChI InChI=1S/C22H22O7/c1-3-4-8-26-16-9-11-17-15(28-22(11)29-16)10-14(25-2)19-20(24)18-12(23)6-5-7-13(18)27-21(17)19/h5-7,10-11,16,22-23H,3-4,8-9H2,1-2H3/t11-,16+,22-/m0/s1
InChIKey RISRFEQFXCHTBG-WPINSWFRSA-N
SMILES O=C1C2=C(OC3=C1C(O)=CC=C3)C4=C(O[C@@H]5[C@H]4C[C@H](OCCCC)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 )
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ChEBI Ontology
Outgoing Sterigmatocystin B (CHEBI:214495) is a sterigmatocystins (CHEBI:26759)
IUPAC Name
(3S,5R,7S)-5-butoxy-15-hydroxy-11-methoxy-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
85252348 ChemSpider
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