CHEBI:215186 - Aspergiloid 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 Aspergiloid B
ChEBI ID CHEBI:215186
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C21H26O4
Net Charge 0
Average Mass 342.435
Monoisotopic Mass 342.18311
InChI InChI=1S/C21H26O4/c1-12-8-9-14-13-7-6-10-20(2,3)18(13)19(22)21(24-5)17(14)16(12)15(23-4)11-25-21/h8-9,15H,6-7,10-11H2,1-5H3/t15-,21+/m1/s1
InChIKey ODERPRVQIBXIDX-VFNWGFHPSA-N
SMILES O=C1C2=C(C=3C=CC(=C4C3[C@@]1(OC[C@H]4OC)OC)C)CCCC2(C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Aspergiloid B (CHEBI:215186) is a organic heterotricyclic compound (CHEBI:26979)
Aspergiloid B (CHEBI:215186) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(9S,12S)-9,12-dimethoxy-6,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),13,15-tetraen-8-one
Manual Xref Database
28289596 ChemSpider
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