Search MNXref
 Feedback

6-Hydroxykaempferol 3,6-diglucoside 7-glucuronide

PropertiesImage
MNX_IDMNXM118436 Image of MNXM118436
referencechebi:169422
formulaC33H38O23
global charge0
mol weight802.644
InChIKeyAAKJOZZAGIRTOJ-UHFFFAOYSA-N
InChIInChI=1S/C33H38O23/c34-6-12-15(37)19(41)23(45)32(52-12)54-27-11(51-31-25(47)21(43)22(44)29(56-31)30(48)49)5-10-14(17(27)39)18(40)28(26(50-10)8-1-3-9(36)4-2-8)55-33-24(46)20(42)16(38)13(7-35)53-33/h1-5,12-13,15-16,19-25,29,31-39,41-47H,6-7H2,(H,48,49)
SMILESO=C1C(OC2OC(CO)C(O)C(O)C2O)=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C(OC1OC(CO)C(O)C(O)C1O)C(OC1OC(C(=O)O)C(O)C(O)C1O)=C2
MNX internals
InChI (mnx)InChI=1/C33H38O23/c34-6-12-15(37)19(41)23(45)32(52-12)54-27-11(51-31-25(47)21(43)22(44)29(56-31)30(48)49)5-10-14(17(27)39)18(40)28(26(50-10)8-1-3-9(36)4-2-8)55-33-24(46)20(42)16(38)13(7-35)53-33/h1-5,12-13,15-16,19-25,29,31-39,41-47H,6-7H2,(H,48,49)/t12?,13?,15?,16?,19?,20?,21?,22?,23?,24?,25?,29?,31?,32?,33? Image of MNXM118436
SMILES (mnx)[CH:1]1=[CH:3][C:9]([OH:36])=[CH:4][CH:2]=[C:8]1[C:26]1=[C:28]([O:55][CH:33]2[CH:24]([OH:46])[CH:20]([OH:42])[CH:16]([OH:38])[CH:13]([CH2:7][OH:35])[O:53]2)[C:18](=[O:40])[C:14]2=[C:17]([OH:39])[C:27]([O:54][CH:32]3[CH:23]([OH:45])[CH:19]([OH:41])[CH:15]([OH:37])[CH:12]([CH2:6][OH:34])[O:52]3)=[C:11]([O:51][CH:31]3[CH:25]([OH:47])[CH:21]([OH:43])[CH:22]([OH:44])[CH:29]([C:30](=[O:48])[OH:49])[O:56]3)[CH:5]=[C:10]2[O:50]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:169422
chebi:169422
AAKJOZZAGIRTOJ-UHFFFAOYSA-N 		6-Hydroxykaempferol 3,6-diglucoside 7-glucuronide
3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-7-yl]oxyoxane-2-carboxylic acid
hmdb:HMDB0037094
AAKJOZZAGIRTOJ-UHFFFAOYSA-N 		6-Hydroxykaempferol 3,6-diglucoside 7-glucuronide
3,4,5-Trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-7-yl]oxy}oxane-2-carboxylate
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})chromen-7-yl]oxy}oxane-2-carboxylic acid

hmdb:HMDB37094 		secondary/obsolete/fantasy identifier