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CHEBI:168769 - Acacetin 7-rhamnosyl-(1->2)-glucosyl-(1->2)-glucosyl-(1->2)-glucoside

ChEBI IDCHEBI:168769
ChEBI NameAcacetin 7-rhamnosyl-(1->2)-glucosyl-(1->2)-glucosyl-(1->2)-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H52O24
Net Charge0
Average Mass916.832
Monoisotopic Mass916.28485
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O)cc3o2)cc1
InChIInChI=1S/C40H52O24/c1-13-25(46)29(50)33(54)37(56-13)62-35-31(52)27(48)22(11-42)60-39(35)64-36-32(53)28(49)23(12-43)61-40(36)63-34-30(51)26(47)21(10-41)59-38(34)57-16-7-17(44)24-18(45)9-19(58-20(24)8-16)14-3-5-15(55-2)6-4-14/h3-9,13,21-23,25-44,46-54H,10-12H2,1-2H3/t13?,21?,22?,23?,25-,26+,27+,28+,29?,30-,31-,32-,33-,34?,35?,36?,37-,38+,39-,40-/m0/s1
InChIKeyJFQDZPMGDSMNAS-GLRWZRNBSA-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)
Acacetin 7-rhamnosyl-(1->2)-glucosyl-(1->2)-glucosyl-(1->2)-glucoside (CHEBI:168769) is a flavonoids (CHEBI:72544)
Acacetin 7-rhamnosyl-(1->2)-glucosyl-(1->2)-glucosyl-(1->2)-glucoside (CHEBI:168769) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,4S,5S)-3-[(2S,4S,5S)-3-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
Manual XrefsDatabases
24843503ChemSpider
LMPK12110464LIPID MAPS