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CHEBI:204851 - Aigialomycin D

ChEBI IDCHEBI:204851
ChEBI NameAigialomycin D
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+/m0/s1
InChIKeyNHAQNKDEUQPSIX-DXOCLGOBSA-N
Species of MetaboliteComponentSourceComments
Aigialus (ncbitaxon:193126) - PubMed (11871887)
ChEBI Ontology
Outgoing Relation(s)
Aigialomycin D (CHEBI:204851) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,6E,8R,9S,12E)-8,9,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one
Manual XrefsDatabases
9899144ChemSpider