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delphinidin 3-O-rutinoside-7-O-beta-D-glucoside

PropertiesImage
MNX_IDMNXM1106809 Image of MNXM1106809
referencechebi:145693
formulaC33H41O21
global charge1
mol weight773.67
InChIKeyRNPFWTUNILZAAJ-GNQVHQKOSA-O
InChIInChI=1S/C33H40O21/c1-9-20(38)24(42)27(45)31(49-9)48-8-19-23(41)26(44)29(47)33(54-19)52-17-6-12-13(35)4-11(50-32-28(46)25(43)22(40)18(7-34)53-32)5-16(12)51-30(17)10-2-14(36)21(39)15(37)3-10/h2-6,9,18-20,22-29,31-34,38,40-47H,7-8H2,1H3,(H3-,35,36,37,39)/p+1/t9-,18+,19+,20-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1
SMILESC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4O)[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C33H40O21/c1-9-20(38)24(42)27(45)31(49-9)48-8-19-23(41)26(44)29(47)33(54-19)52-17-6-12-13(35)4-11(50-32-28(46)25(43)22(40)18(7-34)53-32)5-16(12)51-30(17)10-2-14(36)21(39)15(37)3-10/h2-6,9,18-20,22-29,31-34,38,40-47H,7-8H2,1H3,(H3-,35,36,37,39)/t9-,18+,19+,20-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1 Image of MNXM1106809
SMILES (mnx)[CH3:1][C@H:9]1[C@H:20]([OH:38])[C@@H:24]([OH:42])[C@@H:27]([OH:45])[C@H:31]([O:48][CH2:8][C@@H:19]2[C@@H:23]([OH:41])[C@H:26]([OH:44])[C@@H:29]([OH:47])[C@H:33]([O:52][C:17]3=[C:30]([C:10]4=[CH:2][C:14]([OH:36])=[C:21]([O-:39])[C:15]([OH:37])=[CH:3]4)[O:51][C:16]4=[CH:5][C:11](=[O+:50][C@H:32]5[C@H:28]([OH:46])[C@@H:25]([OH:43])[C@H:22]([OH:40])[C@@H:18]([CH2:7][OH:34])[O:53]5)[CH:4]=[C:13]([OH:35])[C:12]4=[CH:6]3)[O:54]2)[O:49]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:145693
chebi:145693
RNPFWTUNILZAAJ-GNQVHQKOSA-O 		delphinidin 3-O-rutinoside-7-O-beta-D-glucoside
3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-1-ium-7-yl beta-D-glucopyranoside
3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-7-yl beta-D-glucopyranoside
delphinidin 3-O-rutinoside-7-O-beta-D-glucopyranoside
delphinidin 3-O-rutinoside-7-O-glucoside

lipidmaps:LMPK12010289
lipidmapsM:LMPK12010289
RNPFWTUNILZAAJ-GNQVHQKOSA-O 		Bisdeacylplatyconin
2-(3,4,5-Trihydroxyphenyl)-3-[6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyloxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-1-benzopyrylium
Delphinidin 3-rutinoside-7-glucoside

CHEBI:145695
chebi:145695
RNPFWTUNILZAAJ-GNQVHQKOSA-N 		delphinidin 3-O-rutinoside-7-O-beta-D-glucoside betaine
3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-7-(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-1-ium-5-olate
3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-7-(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)chromenium-5-olate

metacyc.compound:CPD-16558
metacycM:CPD-16558
RNPFWTUNILZAAJ-GNQVHQKOSA-N 		delphinidin 3-O-rutinoside-7-O-glucoside
bisdeacylplatyconin