| Properties | Image |
|---|
| MNX_ID | MNXM160270 |
 |
| reference | keggD:D08386 |
| formula | C32H38ClNO12 |
| global charge | 0 |
| mol weight | 664.104 |
| InChIKey | ZPHYPKKFSHAVOE-QXTSSQDCSA-N |
| InChI | InChI=1S/C32H37NO12.ClH/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38;/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3;1H/t14-,17-,19-,21-,22-,31+,32-;/m0./s1 |
| SMILES | COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(O)=C1C[C@@](O)(C(=O)CO)C[C@H](O[C@H]2C[C@H](N)[C@H](O[C@H]4CCCCO4)[C@H](C)O2)C1=C3O.Cl |
MNX internals
| InChI (mnx) | InChI=1/C32H37NO12.ClH/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38;/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3;1H/t14-,17-,19-,21-,22-,31+,32-;/m0./s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:14]1[C@@H:31]([O:45][C@H:21]2[CH2:8][CH2:3][CH2:4][CH2:9][O:42]2)[C@@H:17]([NH2:33])[CH2:10][C@H:22]([O:44][C@H:19]2[CH2:12][C@@:32]([C:20]([CH2:13][OH:34])=[O:35])([OH:40])[CH2:11][C:16]3=[C:28]([OH:37])[C:25]4=[C:26]([C:29](=[O:38])[C:23]5=[C:15]([CH:6]=[CH:5][CH:7]=[C:18]5[O:41][CH3:2])[C:27]4=[O:36])[C:30]([OH:39])=[C:24]32)[O:43]1.[ClH:46] |
|