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CHEBI:220371 - beta-D-glucopyranosyl aspergillusene A

ChEBI IDCHEBI:220371
ChEBI Namebeta-D-glucopyranosyl aspergillusene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O7
Net Charge0
Average Mass396.480
Monoisotopic Mass396.21480
SMILESC/C(=C\CCC(C)C)c1ccc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O
InChIInChI=1S/C21H32O7/c1-12(2)5-4-6-13(3)15-8-7-14(9-16(15)23)11-27-21-20(26)19(25)18(24)17(10-22)28-21/h6-9,12,17-26H,4-5,10-11H2,1-3H3/b13-6+/t17-,18-,19+,20-,21-/m1/s1
InChIKeyQDUSFRFSANCPLX-ZJNNLMMNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (28278674)
ChEBI Ontology
Outgoing Relation(s)
beta-D-glucopyranosyl aspergillusene A (CHEBI:220371) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[3-hydroxy-4-[(E)-6-methylhept-2-en-2-yl]phenyl]methoxy]oxane-3,4,5-triol
Manual XrefsDatabases
78440659ChemSpider