| Properties | Image |
|---|
| MNX_ID | MNXM148507 |
 |
| reference | metacycM:CPD-21580 |
| formula | C26H29N2O16 |
| global charge | -1 |
| mol weight | 625.516 |
| InChIKey | RBHVQKAOTZBBEL-ASOINDLVSA-M |
| InChI | InChI=1S/C26H30N2O16/c29-6-12(27-23(38)10-2-1-3-14(31)17(10)33)26(42)43-8-13(25(40)41)28-24(39)11-4-9(5-15(32)18(11)34)22-21(37)20(36)19(35)16(7-30)44-22/h1-5,12-13,16,19-22,29-37H,6-8H2,(H,27,38)(H,28,39)(H,40,41)/p-1/t12-,13-,16+,19+,20-,21+,22-/m0/s1 |
| SMILES | O=C(N[C@@H](COC(=O)[C@H](CO)NC(=O)C1=C(O)C(O)=CC=C1)C(=O)[O-])C1=CC([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C26H30N2O16/c29-6-12(27-23(38)10-2-1-3-14(31)17(10)33)26(42)43-8-13(25(40)41)28-24(39)11-4-9(5-15(32)18(11)34)22-21(37)20(36)19(35)16(7-30)44-22/h1-5,12-13,16,19-22,29-37H,6-8H2,(H,27,38)(H,28,39)(H,40,41)/t12-,13-,16+,19+,20-,21+,22-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:10]([C:23](=[N:27][C@@H:12]([CH2:6][OH:29])[C:26](=[O:42])[O:43][CH2:8][C@@H:13]([C:25](=[O:40])[OH:41])[N:28]=[C:24]([C:11]2=[C:18]([OH:34])[C:15]([OH:32])=[CH:5][C:9]([C@H:22]3[C@H:21]([OH:37])[C@@H:20]([OH:36])[C@H:19]([OH:35])[C@@H:16]([CH2:7][OH:30])[O:44]3)=[CH:4]2)[OH:39])[OH:38])=[C:17]([OH:33])[C:14]([OH:31])=[CH:3]1 |
|