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2'-C-Methylmyricetin 3-rhamnoside-5'-gallate

PropertiesImage
MNX_IDMNXM34196 Image of MNXM34196
referencelipidmapsM:LMPK12112430
formulaC29H26O16
global charge0
mol weight630.511
InChIKeyUETPEBBTEWIQAH-BZLZHIPMSA-N
InChIInChI=1S/C29H26O16/c1-8-12(7-17(22(37)19(8)34)44-28(41)10-3-14(32)21(36)15(33)4-10)26-27(45-29-25(40)24(39)20(35)9(2)42-29)23(38)18-13(31)5-11(30)6-16(18)43-26/h3-7,9,20,24-25,29-37,39-40H,1-2H3/t9-,20-,24+,25+,29-/m0/s1
SMILESCC1=C(O)C(O)=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1C1=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(=O)C2=C(O)C=C(O)C=C2O1
MNX internals
InChI (mnx)InChI=1/C29H26O16/c1-8-12(7-17(22(37)19(8)34)44-28(41)10-3-14(32)21(36)15(33)4-10)26-27(45-29-25(40)24(39)20(35)9(2)42-29)23(38)18-13(31)5-11(30)6-16(18)43-26/h3-7,9,20,24-25,29-37,39-40H,1-2H3/t9-,20-,24+,25+,29-/m0/s1 Image of MNXM34196
SMILES (mnx)[CH3:1][C:8]1=[C:19]([OH:34])[C:22]([OH:37])=[C:17]([O:44][C:28]([C:10]2=[CH:3][C:14]([OH:32])=[C:21]([OH:36])[C:15]([OH:33])=[CH:4]2)=[O:41])[CH:7]=[C:12]1[C:26]1=[C:27]([O:45][C@H:29]2[C@H:25]([OH:40])[C@H:24]([OH:39])[C@@H:20]([OH:35])[C@H:9]([CH3:2])[O:42]2)[C:23](=[O:38])[C:18]2=[C:13]([OH:31])[CH:5]=[C:11]([OH:30])[CH:6]=[C:16]2[O:43]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

lipidmaps:LMPK12112430
lipidmapsM:LMPK12112430
UETPEBBTEWIQAH-BZLZHIPMSA-N 		2'-C-Methylmyricetin 3-rhamnoside-5'-gallate
hmdb:HMDB0037785
UETPEBBTEWIQAH-UHFFFAOYSA-N 		2'-C-Methylmyricetin 3-rhamnoside 5'-gallate
2'-C-Methylmyricetin 3-rhamnoside 5'-gallic acid
2'-C-Methylmyricetin 3-rhamnoside-5'-gallate
5-[3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2,3-dihydroxy-4-methylphenyl ester 3,4,5-trihydroxy-benzoic acid
5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2,3-dihydroxy-4-methylphenyl 3,4,5-trihydroxybenzoate
5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2,3-dihydroxy-4-methylphenyl 3,4,5-trihydroxybenzoic acid
5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-2-yl}-2,3-dihydroxy-4-methylphenyl 3,4,5-trihydroxybenzoate

CHEBI:192398
chebi:192398
UETPEBBTEWIQAH-UHFFFAOYSA-N 		2'-C-Methylmyricetin 3-rhamnoside 5'-gallate
[5-[5,7-dihydroxy-4-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-2-yl]-2,3-dihydroxy-4-methylphenyl] 3,4,5-trihydroxybenzoate

hmdb:HMDB37785 		secondary/obsolete/fantasy identifier