| Properties | Image |
|---|
| MNX_ID | MNXM1182935 |
 |
| reference | envipathM:...e512163fc85c |
| formula | C34H29N4O11 |
| global charge | -1 |
| mol weight | 669.623 |
| InChIKey | VAHPHZBEDKVFIG-UHFFFAOYSA-M |
| InChI | InChI=1S/C34H30N4O11/c39-19-35-24-7-1-20(2-8-24)15-21-3-11-26(12-4-21)37-33(46)49-18-27(40)13-14-48-34(47)38-29-28(41)17-23(30(42)31(29)43)16-22-5-9-25(10-6-22)36-32(44)45/h1-12,17,36,41-43H,13-16,18H2,(H,37,46)(H,38,47)(H,44,45)/p-1 |
| SMILES | O=C=NC1=CC=C(CC2=CC=C(NC(=O)OCC(=O)CCOC(=O)NC3=C(O)C(O)=C(CC4=CC=C(NC(=O)[O-])C=C4)C=C3O)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H30N4O11/c39-19-35-24-7-1-20(2-8-24)15-21-3-11-26(12-4-21)37-33(46)49-18-27(40)13-14-48-34(47)38-29-28(41)17-23(30(42)31(29)43)16-22-5-9-25(10-6-22)36-32(44)45/h1-12,17,36,41-43H,13-16,18H2,(H,37,46)(H,38,47)(H,44,45) |
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| SMILES (mnx) | [CH:1]1=[CH:7][C:24]([N:35]=[C:19]=[O:39])=[CH:8][CH:2]=[C:20]1[CH2:15][C:21]1=[CH:4][CH:12]=[C:26]([NH:37][C:33](=[O:46])[O:49][CH2:18][C:27]([CH2:13][CH2:14][O:48][C:34](=[N:38][C:29]2=[C:28]([OH:41])[CH:17]=[C:23]([CH2:16][C:22]3=[CH:6][CH:10]=[C:25]([NH:36][C:32](=[O:44])[OH:45])[CH:9]=[CH:5]3)[C:30]([OH:42])=[C:31]2[OH:43])[OH:47])=[O:40])[CH:11]=[CH:3]1 |
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