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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name quercetin 3,7-bis-O-α-L-rhamnoside(1−)
ChEBI ID CHEBI:144435
ChEBI ASCII Name quercetin 3,7-bis-O-alpha-L-rhamnoside(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C27H29O15
Net Charge -1
Average Mass 593.515
Monoisotopic Mass 593.15119
InChI InChI=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
InChIKey GXLQUHPXGLZNGE-BJBZVNFPSA-M
SMILES C1=C(C=C(C2=C1OC(=C(C2=O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)C4=CC=C(C(=C4)O)O)[O-])O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O
ChEBI Ontology
Outgoing 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 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)
Synonym Source
quercetin 3,7-bis-O-α-L-rhamnoside UniProt
Manual Xref Database
CPDQT-26 MetaCyc
View more database links
Last Modified
10 January 2020