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cyanidin 3-O-rutinoside

PropertiesImage
MNX_IDMNXM1363888 Image of MNXM1363888
referencechebi:58546
formulaC27H30O15
global charge0
mol weight594.522
InChIKeyUSNPULRDBDVJAO-FXCAAIILSA-N
InChIInChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1
SMILESC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC(O)=C(O)C=C4)[O+]=C4C=C(O)C=C([O-])C4=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/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1 Image of MNXM1363888
SMILES (mnx)[CH3:1][C@H:9]1[C@H:19]([OH:32])[C@@H:21]([OH:34])[C@@H:23]([OH:36])[C@H:26]([O:38][CH2:8][C@@H:18]2[C@@H:20]([OH:33])[C@H:22]([OH:35])[C@@H:24]([OH:37])[C@H:27]([O:41][C:17]3=[CH:7][C:12]4=[C:14]([OH:30])[CH:5]=[C:11]([OH:28])[CH:6]=[C:16]4[O+:40]=[C:25]3[C:10]3=[CH:4][C:15]([O-:31])=[C:13]([OH:29])[CH:3]=[CH:2]3)[O:42]2)[O:39]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58546
chebi:58546
USNPULRDBDVJAO-FXCAAIILSA-N 		cyanidin 3-O-rutinoside
3-{[6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-olate
cyanidin 3-O-rutinoside betaine

vmhM:c3rslg
vmhmetabolite:c3rslg
USNPULRDBDVJAO-FXCAAIILSA-O 		Cyanidin 3-O-rhamnosylglucoside
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-yliu

kegg.compound:C08620
keggC:C08620
USNPULRDBDVJAO-FXCAAIILSA-O 		Cyanidin 3-O-rutinoside
Cyanidin 3-O-rhamnosylglucoside
Keracyanin

lipidmaps:LMPK12010452
lipidmapsM:LMPK12010452
USNPULRDBDVJAO-FXCAAIILSA-O 		Cyanidin 3-O-rutinoside
Keracyanin
Meralop
Sambucin
hmdb:HMDB0031458
USNPULRDBDVJAO-FXCAAIILSA-O 		Cyanidin 3-rutinoside
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium
Antirrhinin
Ceracyanin
Cyanidin 3-O-rhamnosylglucoside
Cyanidin 3-rhamnoglucoside
Cyanidin-3-rutinoside
Cyaninoside
Keracyanin
Keracyanin, inn
Meralop
Noctilux
Nyctalux
Oleocyanin
Prunicyanin
Sambucin
Sambucine

metacyc.compound:CYANIDIN-3-O-RHAMNOSYLGLUCOSIDE
metacycM:CYANIDIN-3-O-RHAMNOSYLGLUCOSIDE
USNPULRDBDVJAO-SXXMCEBJSA-N 		cyanidin 3-O-rhamnosylglucoside
CYANIDIN-3-O-D-RHAMNOSYL-(1,6)-D-GLUCOSIDE

CHEBI:28064
chebi:28064
USNPULRDBDVJAO-FXCAAIILSA-O 		cyanidin 3-O-rutinoside
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Cyanidin 3-O-rhamnosylglucoside
Cyanidin 3-O-rutinoside
Cyanidin 3-rhamnoglucoside

metacyc.compound:CPD-15001
metacycM:CPD-15001
USNPULRDBDVJAO-FXCAAIILSA-N 		cyanidin-3-O-rutinoside
antirrhinin
cyanidin 3-rhamnoglucoside
cyanidin 3-rutinoside
cyanidin-3-O-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside
keracyanin
sambucin

hmdb:HMDB31458
chebi:23430
chebi:3975
keggC:M_C08620
vmhM:M_c3rslg 		secondary/obsolete/fantasy identifier