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CHEBI:187582 - Glaucarubol 15-O-beta-D-glucopyranoside

ChEBI IDCHEBI:187582
ChEBI NameGlaucarubol 15-O-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O13
Net Charge0
Average Mass558.577
Monoisotopic Mass558.23124
SMILESCC1=CC(O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42
InChIInChI=1S/C26H38O13/c1-8-4-11(28)20(33)24(3)10(8)5-13-25-7-36-26(35,23(24)25)19(32)9(2)14(25)18(21(34)38-13)39-22-17(31)16(30)15(29)12(6-27)37-22/h4,9-20,22-23,27-33,35H,5-7H2,1-3H3
InChIKeyLEELVKKBWHNOAU-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)
Glaucarubol 15-O-beta-D-glucopyranoside (CHEBI:187582) is a quassinoid (CHEBI:72485)
IUPAC Name 
4,5,16,17-tetrahydroxy-6,14,18-trimethyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
Manual XrefsDatabases
HMDB0035909HMDB
384952ChemSpider