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quercetin 3,7-di-O-beta-D-glucoside

MNXM21431 is deprecated and here replaced by MNXM732514
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732514 Image of MNXM732514
referencechebi:131497
formulaC27H30O17
global charge0
mol weight626.52
InChIKeyBNSCASRSSGJHQH-DEFKTLOSSA-N
InChIInChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
SMILESO=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC(O)=C(O)C=C2)OC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C12
MNX internals
InChI (mnx)InChI=1/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1 Image of MNXM732514
SMILES (mnx)[CH:1]1=[CH:2][C:10]([OH:30])=[C:11]([OH:31])[CH:3]=[C:8]1[C:24]1=[C:25]([O:44][C@H:27]2[C@H:23]([OH:39])[C@@H:21]([OH:37])[C@H:18]([OH:34])[C@@H:15]([CH2:7][OH:29])[O:43]2)[C:19](=[O:35])[C:16]2=[C:12]([OH:32])[CH:4]=[C:9]([O:40][C@H:26]3[C@H:22]([OH:38])[C@@H:20]([OH:36])[C@H:17]([OH:33])[C@@H:14]([CH2:6][OH:28])[O:42]3)[CH:5]=[C:13]2[O:41]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:131497
chebi:131497
BNSCASRSSGJHQH-DEFKTLOSSA-N 		quercetin 3,7-di-O-beta-D-glucoside
2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranoside
3,7-Diglucosylquercetin
Quercetin 3,7-diglucoside
Quercetin-3,7-O-beta-diglucopyranoside
quercetin 3,7-O-diglucoside

lipidmaps:LMPK12112100
lipidmapsM:LMPK12112100
BNSCASRSSGJHQH-DEFKTLOSSA-N 		Quercetin 3,7-diglucoside
hmdb:HMDB0303592
BNSCASRSSGJHQH-DEFKTLOSSA-N 		Quercetin 3,7-diglucoside
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-one
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})chromen-4-one
3,7-Diglucosylquercetin
Quercetin 3,7-O-diglucoside
Quercetin 3,7-di-O-b-D-glucoside
Quercetin 3,7-di-O-beta-D-glucoside
Quercetin-3,7-O-b-diglucopyranoside
Quercetin-3,7-O-beta-diglucopyranoside

metacyc.compound:CPD-8033
metacycM:CPD-8033
seed.compound:cpd25008
seedM:cpd25008
BNSCASRSSGJHQH-DEFKTLOSSA-M
BNSCASRSSGJHQH-DEFKTLOSSA-N 		quercetin 3,7-O-diglucoside

seedM:M_cpd25008 		secondary/obsolete/fantasy identifier