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CHEBI:176671 - Kaempferol 3-rutinoside 7-glucoside

ChEBI IDCHEBI:176671
ChEBI NameKaempferol 3-rutinoside 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O20
Net Charge0
Average Mass756.663
Monoisotopic Mass756.21129
SMILESC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-13(49-32-27(45)24(42)20(38)16(8-34)51-32)7-15(18)50-29(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1
InChIKeySCEPATPTKMFDSR-QDSFYBSMSA-N
Species of MetaboliteComponentSourceComments
Curcuma longa (ncbitaxon:136217) rhizome (BTO:0001181) MetaboLights (MTBLS2790)
Curcuma aromatica (ncbitaxon:136209) rhizome (BTO:0001181) MetaboLights (MTBLS2790)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-rutinoside 7-glucoside (CHEBI:176671) is a flavonoids (CHEBI:72544)
Kaempferol 3-rutinoside 7-glucoside (CHEBI:176671) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
10290058ChemSpider