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CHEBI:215186 - Aspergiloid B

ChEBI IDCHEBI:215186
ChEBI NameAspergiloid B
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SubmitterMetaboLights
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FormulaC21H26O4
Net Charge0
Average Mass342.435
Monoisotopic Mass342.18311
SMILESCO[C@@H]1CO[C@]2(OC)C(=O)C3=C(CCCC3(C)C)c3ccc(C)c1c32
InChIInChI=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
InChIKeyODERPRVQIBXIDX-VFNWGFHPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (22196792)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
28289596ChemSpider