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CHEBI:144435 - quercetin 3,7-bis-O-α-L-rhamnoside(1−)

Default Structure
ChEBI IDCHEBI:144435
ChEBI Namequercetin 3,7-bis-O-α-L-rhamnoside(1−)
Stars
ASCII Namequercetin 3,7-bis-O-alpha-L-rhamnoside(1-)
DefinitionA flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 5 of the flavonoid moiety of quercetin 3,7-bis-O-α-L-rhamnoside. The major species at pH 7.3.
Last Modified10 January 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H29O15
Net Charge-1
Average Mass593.514
Monoisotopic Mass593.15119
SMILESC[C@@H]1O[C@@H](Oc2cc([O-])c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C27H30O15/c1-8-17(31)20(34)22(36)26(38-8)40-11-6-14(30)16-15(7-11)41-24(10-3-4-12(28)13(29)5-10)25(19(16)33)42-27-23(37)21(35)18(32)9(2)39-27/h3-9,17-18,20-23,26-32,34-37H,1-2H3/p-1/t8-,9-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1
InChIKeyGXLQUHPXGLZNGE-BJBZVNFPSA-M
ChEBI Ontology
Outgoing Relation(s)
quercetin 3,7-bis-O-α-L-rhamnoside(1−) (CHEBI:144435) is a flavonoid oxoanion (CHEBI:60038)
quercetin 3,7-bis-O-α-L-rhamnoside(1−) (CHEBI:144435) is conjugate base of quercetin 3,7-di-O-α-L-rhamnoside (CHEBI:133245)
Incoming Relation(s)
quercetin 3,7-di-O-α-L-rhamnoside (CHEBI:133245) is conjugate acid of quercetin 3,7-bis-O-α-L-rhamnoside(1−) (CHEBI:144435)
UniProt Name  Source
quercetin 3,7-bis-O-α-L-rhamnosideUniProt
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