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CHEBI:205203 - Aigialomycin E

ChEBI IDCHEBI:205203
ChEBI NameAigialomycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O6
Net Charge0
Average Mass334.368
Monoisotopic Mass334.14164
SMILESC[C@@H]1C/C=C/[C@@H](O)[C@@H](O)CC/C=C\c2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H22O6/c1-11-5-4-8-15(21)14(20)7-3-2-6-12-9-13(19)10-16(22)17(12)18(23)24-11/h2,4,6,8-11,14-15,19-22H,3,5,7H2,1H3/b6-2-,8-4+/t11-,14+,15-/m1/s1
InChIKeyNHAQNKDEUQPSIX-FGXYAFLCSA-N
Species of MetaboliteComponentSourceComments
Aigialus (ncbitaxon:193126) - PubMed (11871887)
ChEBI Ontology
Outgoing Relation(s)
Aigialomycin E (CHEBI:205203) is a macrolide (CHEBI:25106)
IUPAC Name 
(4R,6E,8R,9S,12Z)-8,9,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one
Manual XrefsDatabases
9902076ChemSpider