| Properties | Image |
|---|
| MNX_ID | MNXM1132597 |
 |
| reference | metacycM:CPD-23865 |
| formula | C32H55N5O17 |
| global charge | 0 |
| mol weight | 781.81 |
| InChIKey | DQEGTTUHNGEWJV-ANYPZTFOSA-N |
| InChI | InChI=1S/C32H55N5O17/c1-11(39)7-21(44)37-22-18(43)9-32(31(48)49,53-19(22)8-17(12(2)40)35-15(5)41)54-28-24(34-14(4)33)30(50-13(3)25(28)45)52-27-23(36-16(6)42)29(47)51-20(10-38)26(27)46/h11-13,17-20,22-30,38-40,43,45-47H,7-10H2,1-6H3,(H2,33,34)(H,35,41)(H,36,42)(H,37,44)(H,48,49)/t11-,12?,13+,17?,18-,19?,20-,22+,23-,24+,25-,26-,27-,28+,29+,30+,32-/m1/s1 |
| SMILES | CC(=[NH2+])N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)O[C@@H](C)[C@@H](O)[C@H]1O[C@@]1(C(=O)[O-])C[C@@H](O)[C@H](NC(=O)C[C@@H](C)O)C(CC(NC(C)=O)C(C)O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C32H55N5O17/c1-11(39)7-21(44)37-22-18(43)9-32(31(48)49,53-19(22)8-17(12(2)40)35-15(5)41)54-28-24(34-14(4)33)30(50-13(3)25(28)45)52-27-23(36-16(6)42)29(47)51-20(10-38)26(27)46/h11-13,17-20,22-30,38-40,43,45-47H,7-10H2,1-6H3,(H2,33,34)(H,35,41)(H,36,42)(H,37,44)(H,48,49)/t11-,12?,13+,17?,18-,19?,20-,22+,23-,24+,25-,26-,27-,28+,29+,30+,32-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:11]([CH2:7][C:21](=[N:37][C@H:22]1[C@H:18]([OH:43])[CH2:9][C@:32]([C:31](=[O:48])[OH:49])([O:54][C@H:28]2[C@H:24]([NH:34][C:14]([CH3:4])=[NH:33])[C@H:30]([O:52][C@@H:27]3[C@@H:23]([N:36]=[C:16]([CH3:6])[OH:42])[C@@H:29]([OH:47])[O:51][C@H:20]([CH2:10][OH:38])[C@H:26]3[OH:46])[O:50][C@@H:13]([CH3:3])[C@H:25]2[OH:45])[O:53][CH:19]1[CH2:8][CH:17]([CH:12]([CH3:2])[OH:40])[N:35]=[C:15]([CH3:5])[OH:41])[OH:44])[OH:39] |
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