| Properties | Image |
|---|
| MNX_ID | MNXM1175771 |
 |
| reference | envipathM:...54f55a444e73 |
| formula | C37H66NO16 |
| global charge | -1 |
| mol weight | 780.926 |
| InChIKey | VPOOXMORMYNAOI-KRHQACSRSA-M |
| InChI | InChI=1S/C37H67NO16/c1-13-25(37(9,48)34(45)46)52-32(44)20(4)29(53-26-16-36(8,49-12)30(43)22(6)51-26)19(3)31(35(7,47)15-23(17-39)27(41)21(5)40)54-33-28(42)24(38(10)11)14-18(2)50-33/h18-26,28-31,33,39-40,42-43,47-48H,13-17H2,1-12H3,(H,45,46)/p-1/t18-,19+,20-,21?,22+,23+,24+,25-,26+,28-,29+,30+,31-,33+,35-,36-,37-/m1/s1 |
| SMILES | CC[C@@H](OC(=O)[C@H](C)[C@@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@H](C)[C@@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@](C)(O)C[C@@H](CO)C(=O)C(C)O)[C@@](C)(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO16/c1-13-25(37(9,48)34(45)46)52-32(44)20(4)29(53-26-16-36(8,49-12)30(43)22(6)51-26)19(3)31(35(7,47)15-23(17-39)27(41)21(5)40)54-33-28(42)24(38(10)11)14-18(2)50-33/h18-26,28-31,33,39-40,42-43,47-48H,13-17H2,1-12H3,(H,45,46)/t18-,19+,20-,21?,22+,23+,24+,25-,26+,28-,29+,30+,31-,33+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@H:25]([C@:37]([CH3:9])([C:34](=[O:45])[OH:46])[OH:48])[O:52][C:32]([C@H:20]([CH3:4])[C@H:29]([C@H:19]([CH3:3])[C@H:31]([C@@:35]([CH3:7])([CH2:15][C@@H:23]([CH2:17][OH:39])[C:27]([CH:21]([CH3:5])[OH:40])=[O:41])[OH:47])[O:54][C@H:33]1[C@H:28]([OH:42])[C@@H:24]([N:38]([CH3:10])[CH3:11])[CH2:14][C@@H:18]([CH3:2])[O:50]1)[O:53][C@H:26]1[CH2:16][C@@:36]([CH3:8])([O:49][CH3:12])[C@@H:30]([OH:43])[C@H:22]([CH3:6])[O:51]1)=[O:44] |
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