| Properties | Image |
|---|
| MNX_ID | MNXM1371746 |
 |
| reference | seedM:cpd05444 |
| formula | C30H31N2O19 |
| global charge | -3 |
| mol weight | 723.573 |
| InChIKey | KFVCTOIMBXHEKP-YGPSYDOASA-K |
| InChI | InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h2-3,6-7,12,14,17-24,29-30,33,35-39H,1,4-5,8H2,(H4-,34,40,41,42,43,44,45,46,47)/p-3/b32-2-/t12-,14-,17+,18+,19-,20-,21-,22+,23-,24+,29-,30+/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@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)C=C3C[C@H]2C(=O)[O-])=C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h2-3,6-7,12,14,17-24,29-30,33,35-39H,1,4-5,8H2,(H4-,34,40,41,42,43,44,45,46,47)/b32-2-/t12-,14-,17+,18+,19-,20-,21-,22+,23-,24+,29-,30+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1](/[CH:2]=[N+:32]1/[C:13]2=[CH:7][C:15]([OH:34])=[C:16]([O:48][C@H:30]3[C@H:24]([O:51][C@H:29]4[C@H:22]([OH:39])[C@@H:19]([OH:36])[C@H:21]([OH:38])[C@@H:23]([C:28](=[O:46])[O-:47])[O:50]4)[C@@H:20]([OH:37])[C@H:18]([OH:35])[C@@H:17]([CH2:8][OH:33])[O:49]3)[CH:6]=[C:10]2[CH2:5][C@H:14]1[C:27](=[O:44])[OH:45])[C:9]1=[CH:3][C:11]([C:25](=[O:40])[OH:41])=[N:31][C@H:12]([C:26](=[O:42])[OH:43])[CH2:4]1 |
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