OntologieschebiclassesCHEBI:136780   
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quercetin 3-beta-gentiotrioside
http://purl.obolibrary.org/obo/CHEBI_136780

A quercetin O-glycoside in which the hydroxy hydrogen at position 3 of quercetin has been replaced by a gentiotriosyl group.

Also appears inslm
Exact Synonyms
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
Related Synonyms
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucosyl-(1->6)-beta-D-glucosyl-(1->6)-beta-D-glucoside
moracetin
quercetin 3-gentiotrioside
quercetin beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
quercetin beta-D-glucosyl-(1->6)-beta-D-glucosyl-(1->6)-beta-D-glucoside
quercetin-3-gentiotrioside
class Information
charge

0

formula

C33H40O22

has_dbxref
has_obo_namespace

chebi_ontology

inchi

InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-7-16-20(40)24(44)27(47)32(53-16)50-8-17-21(41)25(45)28(48)33(54-17)55-30-22(42)18-13(38)4-10(35)5-14(18)51-29(30)9-1-2-11(36)12(37)3-9/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,28-,31-,32-,33+/m1/s1

inchikey

XXHSUYNZCSBPBG-GZIDCZEMSA-N

in_subset

3_STAR

mass

788.659

monoisotopicmass

788.20112

smiles

O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO[C@@]5(O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@]6(O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)[H])[H]

class Relations