Search MNXref
 Feedback

Delphinidin 3-O-sophoroside

MNXM8522 is deprecated and here replaced by MNXM1368930
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368930 Image of MNXM1368930
referencechebi:80439
formulaC27H31O17
global charge1
mol weight627.528
InChIKeyUYLDMCQVSGIZMI-ROOKUYIKSA-O
InChIInChI=1S/C27H30O17/c28-6-16-19(35)21(37)23(39)26(42-16)44-25-22(38)20(36)17(7-29)43-27(25)41-15-5-10-11(31)3-9(30)4-14(10)40-24(15)8-1-12(32)18(34)13(33)2-8/h1-5,16-17,19-23,25-29,35-39H,6-7H2,(H4-,30,31,32,33,34)/p+1/t16-,17-,19-,20-,21+,22+,23-,25-,26+,27-/m1/s1
SMILESOC[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C27H30O17/c28-6-16-19(35)21(37)23(39)26(42-16)44-25-22(38)20(36)17(7-29)43-27(25)41-15-5-10-11(31)3-9(30)4-14(10)40-24(15)8-1-12(32)18(34)13(33)2-8/h1-5,16-17,19-23,25-29,35-39H,6-7H2,(H4-,30,31,32,33,34)/t16-,17-,19-,20-,21+,22+,23-,25-,26+,27-/m1/s1 Image of MNXM1368930
SMILES (mnx)[CH:1]1=[C:8]([C:24]2=[O+:40][C:14]3=[CH:4][C:9]([OH:30])=[CH:3][C:11]([OH:31])=[C:10]3[CH:5]=[C:15]2[O:41][C@H:27]2[C@H:25]([O:44][C@H:26]3[C@H:23]([OH:39])[C@@H:21]([OH:37])[C@H:19]([OH:35])[C@@H:16]([CH2:6][OH:28])[O:42]3)[C@@H:22]([OH:38])[C@H:20]([OH:36])[C@@H:17]([CH2:7][OH:29])[O:43]2)[CH:2]=[C:13]([OH:33])[C:18]([O-:34])=[C:12]1[OH:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80439
chebi:80439
kegg.compound:C16307
keggC:C16307
UYLDMCQVSGIZMI-ROOKUYIKSA-O 		Delphinidin 3-O-sophoroside

lipidmaps:LMPK12010280
lipidmapsM:LMPK12010280
UYLDMCQVSGIZMI-ROOKUYIKSA-O 		Delphinidin 3-sophoroside
3,5,7,3',4',5'-Hexahydroxyflavylium 3-glucosyl-(1->2)-glucoside

metacyc.compound:CPD-7844
metacycM:CPD-7844
UYLDMCQVSGIZMI-ROOKUYIKSA-N 		delphinidin 3-O-sophoroside

keggC:M_C16307 		secondary/obsolete/fantasy identifier