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CHEBI:187272 - OH-Chlorobactene glucoside

Default Structure
ChEBI IDCHEBI:187272
ChEBI NameOH-Chlorobactene glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H64O6
Net Charge0
Average Mass713.012
Monoisotopic Mass712.47029
SMILESCC(/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C
InChIInChI=1S/C46H64O6/c1-32(17-11-12-18-33(2)20-15-24-36(5)26-29-40-38(7)28-27-37(6)39(40)8)19-13-21-34(3)22-14-23-35(4)25-16-30-46(9,10)52-45-44(50)43(49)42(48)41(31-47)51-45/h11-15,17-24,26-29,41-45,47-50H,16,25,30-31H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,29-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t41-,42-,43?,44?,45+/m1/s1
InChIKeyGYOAOIUWKMSJGW-QOGNVQSXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OH-Chlorobactene glucoside (CHEBI:187272) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S,5S,6R)-2-[(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
17220945ChemSpider
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