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CHEBI:185837 - Ambofuracin

ChEBI IDCHEBI:185837
ChEBI NameAmbofuracin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O12
Net Charge0
Average Mass548.541
Monoisotopic Mass548.18938
SMILESCOC(=O)CCC(=O)OCC1OC(OC)C(O[C@H]2c3ccc(O)cc3O[C@@H]2Cc2ccc(O)cc2)C(O)C1O
InChIInChI=1S/C27H32O12/c1-34-21(30)9-10-22(31)36-13-20-23(32)24(33)26(27(35-2)38-20)39-25-17-8-7-16(29)12-18(17)37-19(25)11-14-3-5-15(28)6-4-14/h3-8,12,19-20,23-29,32-33H,9-11,13H2,1-2H3/t19-,20?,23?,24?,25+,26?,27?/m1/s1
InChIKeyDFDBQOBSZWTRTL-CDUOHFAZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Ambofuracin (CHEBI:185837) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
4-O-[[3,4-dihydroxy-5-[[(2R,3S)-6-hydroxy-2-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzouran-3-yl]oxy]-6-methoxyoxan-2-yl]methyl] 1-O-methyl butanedioate
Manual XrefsDatabases
24846197ChemSpider
LMPK12130058LIPID MAPS