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CHEBI:183328 - Xanthorhamnin

ChEBI IDCHEBI:183328
ChEBI NameXanthorhamnin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H42O20
Net Charge0
Average Mass770.690
Monoisotopic Mass770.22694
SMILESCOc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1
InChIInChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-16(37)7-13(47-3)8-17(19)51-29(31)12-4-5-14(35)15(36)6-12/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3/t10-,11-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1
InChIKeyNMGVHLDIHNFGQB-OTCPXFHUSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
Xanthorhamnin (CHEBI:183328) is a flavonoids (CHEBI:72544)
Xanthorhamnin (CHEBI:183328) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
Manual XrefsDatabases
4508511ChemSpider