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CHEBI:203781 - Aspercyclide B

ChEBI IDCHEBI:203781
ChEBI NameAspercyclide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O6
Net Charge0
Average Mass412.482
Monoisotopic Mass412.18859
SMILESCCCCC[C@@H]1OC(=O)c2cc(ccc2C)Oc2ccc(O)c(CO)c2/C=C/[C@@H]1O
InChIInChI=1S/C24H28O6/c1-3-4-5-6-23-21(27)10-9-17-19(14-25)20(26)11-12-22(17)29-16-8-7-15(2)18(13-16)24(28)30-23/h7-13,21,23,25-27H,3-6,14H2,1-2H3/b10-9+/t21-,23-/m0/s1
InChIKeyUQFUUOPYXCPQFQ-QOWNCMNNSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - DOI (10.1016/j.tetlet.2004.08.116)
ChEBI Ontology
Outgoing Relation(s)
Aspercyclide B (CHEBI:203781) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(9E,11S,12S)-6,11-dihydroxy-7-(hydroxymethyl)-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.03,8]nonadeca-1(19),3(8),4,6,9,15,17-heptaen-14-one
Manual XrefsDatabases
78437056ChemSpider