| Properties | Image |
|---|
| MNX_ID | MNXM59637 |
 |
| reference | chebi:194319 |
| formula | C38H64NO14 |
| global charge | 1 |
| mol weight | 758.923 |
| InChIKey | CFMSCYSETWZXRS-DPQTXAOLSA-O |
| InChI | InChI=1S/C38H63NO14/c1-10-28-25(18-49-38-36(48-9)34(47)32(45)23(6)51-38)15-19(2)11-12-26(41)20(3)16-24(13-14-40)35(21(4)27(42)17-29(43)52-28)53-37-33(46)30(39(7)8)31(44)22(5)50-37/h11-12,14-15,20-25,27-28,30-38,42,44-47H,10,13,16-18H2,1-9H3/p+1/b12-11+,19-15+/t20-,21+,22-,23-,24+,25-,27-,28-,30+,31-,32-,33-,34-,35-,36-,37+,38-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H]([NH+](C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1OC |
MNX internals
| InChI (mnx) | InChI=1/C38H63NO14/c1-10-28-25(18-49-38-36(48-9)34(47)32(45)23(6)51-38)15-19(2)11-12-26(41)20(3)16-24(13-14-40)35(21(4)27(42)17-29(43)52-28)53-37-33(46)30(39(7)8)31(44)22(5)50-37/h11-12,14-15,20-25,27-28,30-38,42,44-47H,10,13,16-18H2,1-9H3/b12-11+,19-15+/t20-,21+,22-,23-,24+,25-,27-,28-,30+,31-,32-,33-,34-,35-,36-,37+,38-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:10][C@@H:28]1[C@@H:25]([CH2:18][O:49][C@H:38]2[C@H:36]([O:48][CH3:9])[C@H:34]([OH:47])[C@H:32]([OH:45])[C@@H:23]([CH3:6])[O:51]2)/[CH:15]=[C:19]([CH3:2])/[CH:11]=[CH:12]/[C:26](=[O:41])[C@H:20]([CH3:3])[CH2:16][C@H:24]([CH2:13][CH:14]=[O:40])[C@H:35]([O:53][C@H:37]2[C@H:33]([OH:46])[C@@H:30]([N:39]([CH3:7])[CH3:8])[C@H:31]([OH:44])[C@@H:22]([CH3:5])[O:50]2)[C@@H:21]([CH3:4])[C@H:27]([OH:42])[CH2:17][C:29](=[O:43])[O:52]1 |
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