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CHEBI:185258 - Clematin

ChEBI IDCHEBI:185258
ChEBI NameClematin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O15
Net Charge0
Average Mass610.565
Monoisotopic Mass610.18977
SMILESCOc1cc(C2CC(=O)c3c(O)cc(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O)C(O)[C@@H]5O)[C@@H](O)[C@H](O)C4O)cc3O2)ccc1O
InChIInChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-16(42-18(20)7-12)11-3-4-13(29)17(5-11)38-2/h3-7,10,16,19,21-30,32-37H,8-9H2,1-2H3/t10?,16?,19?,21-,22+,23?,24-,25-,26?,27+,28+/m0/s1
InChIKeyAPSNPMVGBGZYAJ-YMYIZJMGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Clematin (CHEBI:185258) is a flavonoids (CHEBI:72544)
Clematin (CHEBI:185258) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
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LMPK12140438LIPID MAPS
24846484ChemSpider