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CHEBI:220223 - Aigialomycin A

ChEBI IDCHEBI:220223
ChEBI NameAigialomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O8
Net Charge0
Average Mass378.377
Monoisotopic Mass378.13147
SMILESCOc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](O)C(=O)/C=C/C[C@H](C)OC2=O
InChIInChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/b5-3+/t9-,14-,15+,17+,18+/m0/s1
InChIKeySSNQAUBBJYCSMY-FZVFXEOBSA-N
Species of MetaboliteComponentSourceComments
Aigialus (ncbitaxon:193126) - PubMed (11871887)
ChEBI Ontology
Outgoing Relation(s)
Aigialomycin A (CHEBI:220223) is a macrolide (CHEBI:25106)
Aigialomycin A (CHEBI:220223) is a resorcinols (CHEBI:33572)
IUPAC Name 
(2R,4R,6S,7S,9E,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
Manual XrefsDatabases
10242997ChemSpider