| Properties | Image |
|---|
| MNX_ID | MNXM1132844 |
 |
| reference | metacycM:CPD-24292 |
| formula | C34H58N2O22 |
| global charge | 0 |
| mol weight | 846.83 |
| InChIKey | YUWFFHOYUPNHPF-ZRGDJBITSA-N |
| InChI | InChI=1S/C34H58N2O22/c1-8-17(40)15(35-12(5)38)22(45)31(50-8)57-28-23(46)18(41)10(3)53-34(28)58-29-24(47)19(42)9(2)52-33(29)56-27-20(43)11(4)51-32(25(27)48)55-26-14(7-37)54-30(49)16(21(26)44)36-13(6)39/h8-11,14-34,37,40-49H,7H2,1-6H3,(H,35,38)(H,36,39)/t8-,9+,10+,11+,14-,15+,16-,17+,18+,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@@H]4[C@@H](O)[C@H](C)O[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]5CO)[C@@H]4O)O[C@@H](C)[C@H](O)[C@H]3O)O[C@@H](C)[C@H](O)[C@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C34H58N2O22/c1-8-17(40)15(35-12(5)38)22(45)31(50-8)57-28-23(46)18(41)10(3)53-34(28)58-29-24(47)19(42)9(2)52-33(29)56-27-20(43)11(4)51-32(25(27)48)55-26-14(7-37)54-30(49)16(21(26)44)36-13(6)39/h8-11,14-34,37,40-49H,7H2,1-6H3,(H,35,38)(H,36,39)/t8-,9+,10+,11+,14-,15+,16-,17+,18+,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:8]1[C@H:17]([OH:40])[C@H:15]([N:35]=[C:12]([CH3:5])[OH:38])[C@@H:22]([OH:45])[C@@H:31]([O:57][C@@H:28]2[C@H:23]([OH:46])[C@@H:18]([OH:41])[C@H:10]([CH3:3])[O:53][C@H:34]2[O:58][C@@H:29]2[C@H:24]([OH:47])[C@@H:19]([OH:42])[C@H:9]([CH3:2])[O:52][C@H:33]2[O:56][C@@H:27]2[C@@H:20]([OH:43])[C@H:11]([CH3:4])[O:51][C@H:32]([O:55][C@@H:26]3[C@@H:14]([CH2:7][OH:37])[O:54][C@@H:30]([OH:49])[C@H:16]([N:36]=[C:13]([CH3:6])[OH:39])[C@H:21]3[OH:44])[C@@H:25]2[OH:48])[O:50]1 |
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