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beta-Solanine
MNXM13302 is deprecated and here replaced by MNXM728092
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM728092 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C39H63NO11 |
charge | 0 |
mass | 721.44011 |
reference | hmdb:HMDB0033696 |
InChIKey | OCVQAFQRXHOFMV-UHFFFAOYSA-N |
InChI | InChI=1S/C39H63NO11/c1-18-5-8-25-19(2)29-26(40(25)15-18)14-24-22-7-6-20-13-21(9-11-38(20,3)23(22)10-12-39(24,29)4)48-37-34(47)35(31(44)28(17-42)50-37)51-36-33(46)32(45)30(43)27(16-41)49-36/h6,18-19,21-37,41-47H,5,7-17H2,1-4H3 |
SMILES | CC1CCC2C(C)C3C(CC4C5CC=C6CC(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)CCC6(C)C5CCC43C)N2C1 |
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Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
Identifier | Description |
hmdb:HMDB0033696
| beta-Solanine 2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol b-Solanine beta-solanine
|
hmdb:HMDB33696
| secondary/obsolete/fantasy identifier
|