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Delphinidin 3-O-sophoroside
MNXM8522 is deprecated and here replaced by MNXM740837
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM740837 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
0 |
|
formula | C27H31O17 |
charge | 1 |
mass | 627.15558 |
reference | chebi:80439 |
InChIKey | UYLDMCQVSGIZMI-ROOKUYIKSA-O |
InChI | InChI=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 |
SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3cc(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 |
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Parent-child relations graph |
Deprecated MNXref IDs graph |