| Properties | Image |
|---|
| MNX_ID | MNXM1371652 |
 |
| reference | seedM:cpd05447 |
| formula | C24H24N2O13 |
| global charge | -2 |
| mol weight | 548.457 |
| InChIKey | MOEDQPBUKSEPHH-VQSBBBAPSA-L |
| InChI | InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h2-3,6-7,12,14,17-20,24,27,29-31H,1,4-5,8H2,(H3-,28,32,33,34,35,36,37)/p-2/b26-2-/t12-,14-,17+,18+,19-,20+,24+/m0/s1 |
| SMILES | O=C([O-])C1=N[C@H](C(=O)[O-])CC(C/C=[N+]2/C3=CC(O)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3C[C@H]2C(=O)[O-])=C1 |
MNX internals
| InChI (mnx) | InChI=1/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h2-3,6-7,12,14,17-20,24,27,29-31H,1,4-5,8H2,(H3-,28,32,33,34,35,36,37)/b26-2-/t12-,14-,17+,18+,19-,20+,24+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1](/[CH:2]=[N+:26]1/[C:13]2=[CH:7][C:15]([OH:28])=[C:16]([O:38][C@H:24]3[C@H:20]([OH:31])[C@@H:19]([OH:30])[C@H:18]([OH:29])[C@@H:17]([CH2:8][OH:27])[O:39]3)[CH:6]=[C:10]2[CH2:5][C@H:14]1[C:23](=[O:36])[O-:37])[C:9]1=[CH:3][C:11]([C:21](=[O:32])[OH:33])=[N:25][C@H:12]([C:22](=[O:34])[OH:35])[CH2:4]1 |
|