| Properties | Image |
|---|
| MNX_ID | MNXM151763 |
 |
| reference | metacycM:CPD-17236 |
| formula | C36H41N4O16 |
| global charge | -5 |
| mol weight | 785.736 |
| InChIKey | ASTJCCRNJOCUJI-PAIGMYNKSA-I |
| InChI | InChI=1S/C36H46N4O16/c1-20(41)38-17-24-16-22(19-56-24)18-55-23-4-2-21(3-5-23)14-15-37-29(42)11-8-27(35(51)52)40-31(44)12-9-28(36(53)54)39-30(43)10-6-25(33(47)48)26(34(49)50)7-13-32(45)46/h2-5,16,19,25-28H,6-15,17-18H2,1H3,(H,37,42)(H,38,41)(H,39,43)(H,40,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)/p-5/t25?,26?,27-,28-/m0/s1 |
| SMILES | CC(=O)NCC1=CC(COC2=CC=C(CCNC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CCC(C(=O)[O-])C(CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C=C2)=CO1 |
MNX internals
| InChI (mnx) | InChI=1/C36H46N4O16/c1-20(41)38-17-24-16-22(19-56-24)18-55-23-4-2-21(3-5-23)14-15-37-29(42)11-8-27(35(51)52)40-31(44)12-9-28(36(53)54)39-30(43)10-6-25(33(47)48)26(34(49)50)7-13-32(45)46/h2-5,16,19,25-28H,6-15,17-18H2,1H3,(H,37,42)(H,38,41)(H,39,43)(H,40,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)/t25?,26?,27-,28-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:20](=[N:38][CH2:17][C:24]1=[CH:16][C:22]([CH2:18][O:55][C:23]2=[CH:5][CH:3]=[C:21]([CH2:14][CH2:15][N:37]=[C:29]([CH2:11][CH2:8][C@@H:27]([C:35](=[O:51])[OH:52])[N:40]=[C:31]([CH2:12][CH2:9][C@@H:28]([C:36](=[O:53])[OH:54])[N:39]=[C:30]([CH2:10][CH2:6][CH:25]([CH:26]([CH2:7][CH2:13][C:32](=[O:45])[OH:46])[C:34](=[O:49])[OH:50])[C:33](=[O:47])[OH:48])[OH:43])[OH:44])[OH:42])[CH:2]=[CH:4]2)=[CH:19][O:56]1)[OH:41] |
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