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Mirtillin

PropertiesImage
MNX_IDMNXM1368205 Image of MNXM1368205
referenceseedM:cpd08920
formulaC21H20O12
global charge0
mol weight464.379
InChIKeyFOTVSBOQCPDUFW-PEVLUNPASA-N
InChIInChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-23,25-30H,6H2/t15-,17-,18+,19-,21-/m1/s1
SMILESO=C1C=C(O)C=C2OC(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C12
MNX internals
InChI (mnx)InChI=1/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-23,25-30H,6H2/t15-,17-,18+,19-,21-/m1/s1 Image of MNXM1368205
SMILES (mnx)[CH:1]1=[C:7]([C:20]2=[C:14]([O:32][C@H:21]3[C@H:19]([OH:30])[C@@H:18]([OH:29])[C@H:17]([OH:28])[C@@H:15]([CH2:6][OH:22])[O:33]3)[CH:5]=[C:9]3[C:10](=[O:24])[CH:3]=[C:8]([OH:23])[CH:4]=[C:13]3[O:31]2)[CH:2]=[C:12]([OH:26])[C:16]([OH:27])=[C:11]1[OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)17
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd08920
seedM:cpd08920
FOTVSBOQCPDUFW-PEVLUNPASA-N 		Mirtillin
Delphinidin 3-O-beta-D-glucoside
Delphinidin 3-O-glucoside
Delphinidin 3-glucoside
delfinidin-3-O-glucoside
delphinidin-3-O-beta-D-glucoside

seedM:M_cpd08920 		secondary/obsolete/fantasy identifier