| Properties | Image |
|---|
| MNX_ID | MNXM732181 |
 |
| reference | keggC:C04876 |
| formula | C33H54N6O20 |
| global charge | 0 |
| mol weight | 854.817 |
| InChIKey | GGQSPFOOXYIGQQ-IEZVQVLWSA-N |
| InChI | InChI=1S/C33H54N6O20/c1-11(26(47)39-17(30(53)54)8-9-19(43)38-16(29(51)52)7-5-6-15(34)28(49)50)35-27(48)12(2)56-25-21(37-14(4)42)31(55)58-33(24(25)46)59-32-20(36-13(3)41)23(45)22(44)18(10-40)57-32/h11-12,15-18,20-25,31-33,40,44-46,55H,5-10,34H2,1-4H3,(H,35,48)(H,36,41)(H,37,42)(H,38,43)(H,39,47)(H,49,50)(H,51,52)(H,53,54)/t11-,12?,15?,16-,17+,18+,20+,21+,22+,23+,24-,25+,31?,32+,33+/m0/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCC(N)C(=O)O)C(=O)O)C(=O)O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C33H54N6O20/c1-11(26(47)39-17(30(53)54)8-9-19(43)38-16(29(51)52)7-5-6-15(34)28(49)50)35-27(48)12(2)56-25-21(37-14(4)42)31(55)58-33(24(25)46)59-32-20(36-13(3)41)23(45)22(44)18(10-40)57-32/h11-12,15-18,20-25,31-33,40,44-46,55H,5-10,34H2,1-4H3,(H,35,48)(H,36,41)(H,37,42)(H,38,43)(H,39,47)(H,49,50)(H,51,52)(H,53,54)/t11-,12?,15?,16-,17+,18+,20+,21+,22+,23+,24-,25+,31?,32+,33+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:11]([C:26](=[N:39][C@H:17]([CH2:8][CH2:9][C:19](=[N:38][C@@H:16]([CH2:7][CH2:5][CH2:6][CH:15]([C:28](=[O:49])[OH:50])[NH2:34])[C:29](=[O:51])[OH:52])[OH:43])[C:30](=[O:53])[OH:54])[OH:47])[N:35]=[C:27]([CH:12]([CH3:2])[O:56][C@@H:25]1[C@@H:21]([N:37]=[C:14]([CH3:4])[OH:42])[CH:31]([OH:55])[O:58][C@H:33]([O:59][C@@H:32]2[C@H:20]([N:36]=[C:13]([CH3:3])[OH:41])[C@@H:23]([OH:45])[C@H:22]([OH:44])[C@@H:18]([CH2:10][OH:40])[O:57]2)[C@H:24]1[OH:46])[OH:48] |
|