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Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM73434 Image of MNXM73434 Image of MNXM73434
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
formulaC43H49O23
charge1
mass933.842
referencechebi:80431
InChIKeyBXEZTCOKOLHMKY-PJUZUSDESA-O
InChIInChI=1S/C43H48O23/c1-16-39(66-29(48)8-5-17-3-6-19(45)7-4-17)35(54)38(57)41(60-16)59-15-28-32(51)34(53)37(56)43(65-28)63-26-13-21-23(61-40(26)18-9-22(47)30(49)25(10-18)58-2)11-20(46)12-24(21)62-42-36(55)33(52)31(50)27(14-44)64-42/h3-13,16,27-28,31-39,41-44,50-57H,14-15H2,1-2H3,(H3-,45,46,47,48,49)/p+1/t16-,27+,28+,31+,32+,33-,34-,35-,36+,37+,38+,39-,41+,42+,43+/m0/s1
SMILES[CH3:1][C@H:16]1[C@H:39]([O:66][C:29]([CH:8]=[CH:5][c:17]2[cH:3][cH:6][c:19]([OH:45])[cH:7][cH:4]2)=[O:48])[C@@H:35]([OH:54])[C@@H:38]([OH:57])[C@H:41]([O:59][CH2:15][C@@H:28]2[C@@H:32]([OH:51])[C@H:34]([OH:53])[C@@H:37]([OH:56])[C@H:43]([O:63][c:26]3[cH:13][c:21]4[c:23]([cH:11][c:20]([OH:46])[cH:12][c:24]4[O:62][C@H:42]4[C@H:36]([OH:55])[C@@H:33]([OH:52])[C@H:31]([OH:50])[C@@H:27]([CH2:14][OH:44])[O:64]4)[o+:61][c:40]3-[c:18]3[cH:9][c:22]([OH:47])[c:30]([O-:49])[c:25]([O:58][CH3:2])[cH:10]3)[O:65]2)[O:60]1
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Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd15011
seedM:cpd15011
CHEBI:80431
chebi:80431
kegg.compound:C16295
keggC:C16295 		Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside
hmdb:HMDB0038095 Petanin
2-(3,4-dihydroxy-5-methoxyphenyl)-3-[(6-{[(3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda⁴-chromen-1-ylium
Petunidin 3-O-[6-O-(4-O-(e)-P-coumaroyl-O-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside
Petunidin 3-O-b-D-glucopyranoside
Petunidin 3-O-beta-D-glucopyranoside
Petunidin-3-glucoside
lipidmaps:LMPK12010362
lipidmapsM:LMPK12010362 		Petanin
Petunidin 3-O-[6-O-(4-O-(E)-p-coumaroyl-O-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside
metacyc.compound:CPD-22093
metacycM:CPD-22093 		petunidin 3-O-(4-coumaroyl-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside) 5-O-glucoside
petunidin 3-O-(4-coumaroyl)-rutinoside-5-O-glucoside
hmdb:HMDB38095
keggC:M_C16295
seedM:M_cpd15011 		secondary/obsolete/fantasy identifier