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CHEBI:169144 - Spinatoside

ChEBI IDCHEBI:169144
ChEBI NameSpinatoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O14
Net Charge0
Average Mass522.415
Monoisotopic Mass522.10096
SMILESCOc1c(O)cc2oc(-c3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3)c(OC)c(=O)c2c1O
InChIInChI=1S/C23H22O14/c1-33-19-9(25)6-11-12(13(19)26)14(27)20(34-2)18(35-11)7-3-4-10(8(24)5-7)36-23-17(30)15(28)16(29)21(37-23)22(31)32/h3-6,15-17,21,23-26,28-30H,1-2H3,(H,31,32)/t15-,16-,17+,21-,23+/m0/s1
InChIKeyYIDAQAJEKNRLJS-QJAHINBCSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Spinatoside (CHEBI:169144) is a flavonoids (CHEBI:72544)
Spinatoside (CHEBI:169144) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-3,6-dimethoxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0037457HMDB
10306188ChemSpider