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(+)-catechin 7-O-beta-D-xyloside

PropertiesImage
MNX_IDMNXM30088 Image of MNXM30088
referencechebi:28117
formulaC20H22O10
global charge0
mol weight422.386
InChIKeyUQKKDJWFQBNZBJ-MLYGIHNMSA-N
InChIInChI=1S/C20H22O10/c21-11-2-1-8(3-13(11)23)19-14(24)6-10-12(22)4-9(5-16(10)30-19)29-20-18(27)17(26)15(25)7-28-20/h1-5,14-15,17-27H,6-7H2/t14-,15+,17-,18+,19+,20-/m0/s1
SMILESOC1=CC(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C[C@H](O)[C@@H](C1=CC(O)=C(O)C=C1)O2
MNX internals
InChI (mnx)InChI=1/C20H22O10/c21-11-2-1-8(3-13(11)23)19-14(24)6-10-12(22)4-9(5-16(10)30-19)29-20-18(27)17(26)15(25)7-28-20/h1-5,14-15,17-27H,6-7H2/t14-,15+,17-,18+,19+,20-/m0/s1 Image of MNXM30088
SMILES (mnx)[CH:1]1=[CH:2][C:11]([OH:21])=[C:13]([OH:23])[CH:3]=[C:8]1[C@@H:19]1[C@@H:14]([OH:24])[CH2:6][C:10]2=[C:12]([OH:22])[CH:4]=[C:9]([O:29][C@H:20]3[C@H:18]([OH:27])[C@@H:17]([OH:26])[C@H:15]([OH:25])[CH2:7][O:28]3)[CH:5]=[C:16]2[O:30]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28117
chebi:28117
UQKKDJWFQBNZBJ-MLYGIHNMSA-N 		(+)-catechin 7-O-beta-D-xyloside
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl beta-D-xylopyranoside
Catechin 7-O-beta-D-xyloside

seed.compound:cpd06512
seedM:cpd06512
kegg.compound:C09617
keggC:C09617
UQKKDJWFQBNZBJ-MLYGIHNMSA-N 		Catechin 7-O-beta-D-xyloside

lipidmaps:LMPK12020046
lipidmapsM:LMPK12020046
UQKKDJWFQBNZBJ-MLYGIHNMSA-N 		Catechin 7-O-beta-D-xyloside
(2S,3R,4S,5R)-2-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxychroman-7-yl]oxyoxane-3,4,5-triol
hmdb:HMDB0302573
UQKKDJWFQBNZBJ-MLYGIHNMSA-N 		Catechin 7-xyloside
(+)-Catechin 7-O-b-D-xyloside
(+)-Catechin 7-O-beta-D-xyloside
(+)-catechin 7-O-beta-D-xyloside
(2S,3R,4S,5R)-2-{[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-3,4,5-triol
Catechin 7-O-b-D-xyloside
Catechin 7-O-beta-D-xyloside

chebi:23052
chebi:3466
keggC:M_C09617
seedM:M_cpd06512 		secondary/obsolete/fantasy identifier