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CHEBI:215761 - Aigialomycin G tautomer

ChEBI IDCHEBI:215761
ChEBI NameAigialomycin G tautomer
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O9
Net Charge0
Average Mass398.408
Monoisotopic Mass398.15768
SMILESCOc1cc(O)c2c(c1)[C@@H](O)[C@H](C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)O)OC2=O
InChIInChI=1S/C19H26O9/c1-9(20)4-3-5-12(21)18(25)14(23)8-15-17(24)11-6-10(27-2)7-13(22)16(11)19(26)28-15/h6-7,9,14-15,17-18,20,22-25H,3-5,8H2,1-2H3/t9-,14-,15-,17+,18+/m0/s1
InChIKeySQYAYCYQGHSUJQ-KIHMKMFPSA-N
Species of MetaboliteComponentSourceComments
Aigialus (ncbitaxon:193126) - DOI (10.1016/j.tet.2009.03.050)
ChEBI Ontology
Outgoing Relation(s)
Aigialomycin G tautomer (CHEBI:215761) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3S,4R)-4,8-dihydroxy-6-methoxy-3-[(2S,3S,8S)-2,3,8-trihydroxy-4-oxononyl]-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
27024202ChemSpider