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CHEBI:187555 - Rutaretin 9-rutinoside

ChEBI IDCHEBI:187555
ChEBI NameRutaretin 9-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O14
Net Charge0
Average Mass570.544
Monoisotopic Mass570.19486
SMILESCC1OC(OCC2OC(Oc3c4c(cc5ccc(=O)oc35)CC(C(C)(C)O)O4)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C26H34O14/c1-9-15(28)17(30)19(32)24(36-9)35-8-12-16(29)18(31)20(33)25(37-12)40-23-21-10(4-5-14(27)39-21)6-11-7-13(26(2,3)34)38-22(11)23/h4-6,9,12-13,15-20,24-25,28-34H,7-8H2,1-3H3
InChIKeyBXZHQIFYFLLPME-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Rutaretin 9-rutinoside (CHEBI:187555) is a coumarins (CHEBI:23403)
Rutaretin 9-rutinoside (CHEBI:187555) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(2-hydroxypropan-2-yl)-9-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrouro[3,2-g]chromen-7-one
Manual XrefsDatabases
HMDB0034611HMDB