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CHEBI:200879 - Aspercyclide C

ChEBI IDCHEBI:200879
ChEBI NameAspercyclide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O5
Net Charge0
Average Mass382.456
Monoisotopic Mass382.17802
SMILESCCCCC[C@@H]1OC(=O)c2cc(ccc2C)Oc2c(O)cccc2/C=C/[C@@H]1O
InChIInChI=1S/C23H26O5/c1-3-4-5-9-21-19(24)13-11-16-7-6-8-20(25)22(16)27-17-12-10-15(2)18(14-17)23(26)28-21/h6-8,10-14,19,21,24-25H,3-5,9H2,1-2H3/b13-11+/t19-,21-/m0/s1
InChIKeyFAXYTGRENYUAJU-MMTLXRNNSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - DOI (10.1016/j.tetlet.2004.08.116)
ChEBI Ontology
Outgoing Relation(s)
Aspercyclide C (CHEBI:200879) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(9E,11S,12S)-4,11-dihydroxy-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
78436688ChemSpider