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quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]

PropertiesImage
MNX_IDMNXM12834 Image of MNXM12834
referencechebi:32081
formulaC26H28O16
global charge0
mol weight596.494
InChIKeyNKFZLEYLWAFYEH-CJNLAGEVSA-N
InChIInChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1
SMILESO=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC(O)=C(O)C=C2)OC2=CC(O)=CC(O)=C12
MNX internals
InChI (mnx)InChI=1/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1 Image of MNXM12834
SMILES (mnx)[CH:1]1=[CH:2][C:10]([OH:29])=[C:11]([OH:30])[CH:3]=[C:8]1[C:22]1=[C:23]([O:41][C@H:26]2[C@H:24]([O:42][C@H:25]3[C@H:21]([OH:37])[C@@H:17]([OH:33])[C@H:13]([OH:32])[CH2:7][O:38]3)[C@@H:20]([OH:36])[C@H:18]([OH:34])[C@@H:15]([CH2:6][OH:27])[O:40]2)[C:19](=[O:35])[C:16]2=[C:12]([OH:31])[CH:4]=[C:9]([OH:28])[CH:5]=[C:14]2[O:39]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:32081
chebi:32081
NKFZLEYLWAFYEH-CJNLAGEVSA-N 		quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-4H-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
quercetin 3-sambubioside

seed.compound:cpd09268
seedM:cpd09268
NKFZLEYLWAFYEH-CJNLAGEVSA-M 		Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]

kegg.compound:C12637
keggC:C12637
NKFZLEYLWAFYEH-CJNLAGEVSA-N 		Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]
Quercetin 3-O-sambubioside

keggC:M_C12637
seedM:M_cpd09268 		secondary/obsolete/fantasy identifier