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CHEBI:175892 - Oxyisocyclointegrin

ChEBI IDCHEBI:175892
ChEBI NameOxyisocyclointegrin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O7
Net Charge0
Average Mass384.384
Monoisotopic Mass384.12090
SMILESCOc1cc(O)c2c(=O)c3c(oc2c1)-c1ccc(O)cc1OC(C(C)(C)O)C3
InChIInChI=1S/C21H20O7/c1-21(2,25)17-9-13-19(24)18-14(23)7-11(26-3)8-16(18)28-20(13)12-5-4-10(22)6-15(12)27-17/h4-8,17,22-23,25H,9H2,1-3H3
InChIKeyCLBXZXANZHXYLN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Oxyisocyclointegrin (CHEBI:175892) is a oxacycle (CHEBI:38104)
IUPAC Name 
3,9-dihydroxy-6-(2-hydroxypropan-2-yl)-11-methoxy-6,7-dihydrochromeno[3,2-d][1]benzoxepin-8-one
Manual XrefsDatabases
24844334ChemSpider
HMDB0030621HMDB
LMPK12111540LIPID MAPS