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CHEBI:220537 - IBR-3

ChEBI IDCHEBI:220537
ChEBI NameIBR-3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O8
Net Charge0
Average Mass394.420
Monoisotopic Mass394.16277
SMILESCOc1cc(OC)c2c(OC3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3OC)cc(OC)cc2c1
InChIInChI=1S/C20H26O8/c1-10-17(21)18(22)19(26-5)20(27-10)28-15-9-13(24-3)7-11-6-12(23-2)8-14(25-4)16(11)15/h6-10,17-22H,1-5H3/t10-,17-,18+,19+,20?/m0/s1
InChIKeyKUCULSZWTQRMBE-KBSMXBBYSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (30634706)
ChEBI Ontology
Outgoing Relation(s)
IBR-3 (CHEBI:220537) is a naphthalenes (CHEBI:25477)