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CHEBI:219772 - Aigialomycin C

ChEBI IDCHEBI:219772
ChEBI NameAigialomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O7
Net Charge0
Average Mass364.394
Monoisotopic Mass364.15220
SMILESCOc1cc(O)c2c(c1)[C@H]1O[C@@H]1CC[C@H](O)[C@@H](O)/C=C/C[C@H](C)OC2=O
InChIInChI=1S/C19H24O7/c1-10-4-3-5-13(20)14(21)6-7-16-18(26-16)12-8-11(24-2)9-15(22)17(12)19(23)25-10/h3,5,8-10,13-14,16,18,20-22H,4,6-7H2,1-2H3/b5-3+/t10-,13-,14-,16+,18+/m0/s1
InChIKeyIDIVCUJKNPAADU-UDMGXPKMSA-N
Species of MetaboliteComponentSourceComments
Aigialus (ncbitaxon:193126) - PubMed (11871887)
ChEBI Ontology
Outgoing Relation(s)
Aigialomycin C (CHEBI:219772) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
(2R,4R,7S,8S,9E,12S)-7,8,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraen-14-one
Manual XrefsDatabases
10242999ChemSpider