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CHEBI:198763 - Sequoiatone B

ChEBI IDCHEBI:198763
ChEBI NameSequoiatone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O5
Net Charge0
Average Mass374.477
Monoisotopic Mass374.20932
SMILESCCCCCC[C@@H](C)C(=O)/C=C1/C(C(=O)OC)=C2C=C(C)OC=C2[C@@]1(C)O
InChIInChI=1S/C22H30O5/c1-6-7-8-9-10-14(2)19(23)12-17-20(21(24)26-5)16-11-15(3)27-13-18(16)22(17,4)25/h11-14,25H,6-10H2,1-5H3/b17-12-/t14-,22+/m1/s1
InChIKeyAZRKTTNHSKOLMR-ZFKUNJMVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus parasiticus (ncbitaxon:5067) - PubMed (11674610)
ChEBI Ontology
Outgoing Relation(s)
Sequoiatone B (CHEBI:198763) is a pyrans (CHEBI:26407)
IUPAC Name 
methyl (6Z,7S)-7-hydroxy-3,7-dimethyl-6-[(3R)-3-methyl-2-oxononylidene]cyclopenta[c]pyran-5-carboxylate
Manual XrefsDatabases
78436401ChemSpider