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CHEBI:192896 - 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-xylosyl-(1->6)-glucoside

ChEBI IDCHEBI:192896
ChEBI Name5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-xylosyl-(1->6)-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O15
Net Charge0
Average Mass594.522
Monoisotopic Mass594.15847
SMILESCOc1cc(O[C@@H]2OC(CO[C@@H]3OC[C@@H](O)[C@H](O)C3O)[C@@H](O)[C@H](O)C2O)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1
InChIInChI=1S/C27H30O15/c1-37-11-5-16-20(12(7-19(31)40-16)10-2-3-13(28)14(29)4-10)17(6-11)41-27-25(36)23(34)22(33)18(42-27)9-39-26-24(35)21(32)15(30)8-38-26/h2-7,15,18,21-30,32-36H,8-9H2,1H3/t15-,18?,21+,22-,23+,24?,25?,26+,27-/m1/s1
InChIKeyGXDJGKMWLJOJFR-OWKULCSLSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-xylosyl-(1->6)-glucoside (CHEBI:192896) is a coumarins (CHEBI:23403)
5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-xylosyl-(1->6)-glucoside (CHEBI:192896) is a glycoside (CHEBI:24400)
IUPAC Name 
4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one
Manual XrefsDatabases
24843137ChemSpider
LMPK12100044LIPID MAPS