| Properties | Image |
|---|
| MNX_ID | MNXM1138987 |
 |
| reference | envipathM:...108baaa404cd |
| formula | C36H66NO15 |
| global charge | -1 |
| mol weight | 752.916 |
| InChIKey | MSAQZJITGXPNCP-BKGJBZPASA-M |
| InChI | InChI=1S/C36H67NO15/c1-13-23(38)34(9,46)28(40)18(3)26(39)19(4)29(41)35(10,47)31(52-25-16-36(48,37(11)12)14-17(2)49-25)20(5)27(21(6)32(43)44)51-24-15-33(8,45)30(42)22(7)50-24/h17-25,27-31,38,40-42,45-48H,13-16H2,1-12H3,(H,43,44)/p-1/t17-,18+,19+,20+,21-,22+,23-,24+,25+,27+,28-,29?,30+,31-,33-,34-,35-,36-/m1/s1 |
| SMILES | CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C(O)[C@@](C)(O)[C@H](O[C@H]1C[C@@](O)(N(C)C)C[C@@H](C)O1)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(O)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C36H67NO15/c1-13-23(38)34(9,46)28(40)18(3)26(39)19(4)29(41)35(10,47)31(52-25-16-36(48,37(11)12)14-17(2)49-25)20(5)27(21(6)32(43)44)51-24-15-33(8,45)30(42)22(7)50-24/h17-25,27-31,38,40-42,45-48H,13-16H2,1-12H3,(H,43,44)/t17-,18+,19+,20+,21-,22+,23-,24+,25+,27+,28-,29?,30+,31-,33-,34-,35-,36-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:13][C@H:23]([C@:34]([CH3:9])([C@@H:28]([C@@H:18]([CH3:3])[C:26]([C@H:19]([CH3:4])[CH:29]([C@:35]([CH3:10])([C@@H:31]([C@@H:20]([CH3:5])[C@@H:27]([C@@H:21]([CH3:6])[C:32](=[O:43])[OH:44])[O:51][C@H:24]1[CH2:15][C@@:33]([CH3:8])([OH:45])[C@@H:30]([OH:42])[C@H:22]([CH3:7])[O:50]1)[O:52][C@H:25]1[CH2:16][C@:36]([N:37]([CH3:11])[CH3:12])([OH:48])[CH2:14][C@@H:17]([CH3:2])[O:49]1)[OH:47])[OH:41])=[O:39])[OH:40])[OH:46])[OH:38] |
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