| Properties | Image |
|---|
| MNX_ID | MNXM1180574 |
 |
| reference | envipathM:...270074560e94 |
| formula | C34H31N4O11 |
| global charge | -1 |
| mol weight | 671.639 |
| InChIKey | CXBPVVUTJKJPHK-UHFFFAOYSA-M |
| InChI | InChI=1S/C34H32N4O11/c39-19-35-24-9-1-20(2-10-24)30(42)22-5-13-26(14-6-22)37-33(46)48-17-28(40)29(41)18-49-34(47)38-27-15-7-23(8-16-27)31(43)21-3-11-25(12-4-21)36-32(44)45/h1-16,28-31,36,40-43H,17-18H2,(H,37,46)(H,38,47)(H,44,45)/p-1 |
| SMILES | O=C=NC1=CC=C(C(O)C2=CC=C(NC(=O)OCC(O)C(O)COC(=O)NC3=CC=C(C(O)C4=CC=C(NC(=O)[O-])C=C4)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H32N4O11/c39-19-35-24-9-1-20(2-10-24)30(42)22-5-13-26(14-6-22)37-33(46)48-17-28(40)29(41)18-49-34(47)38-27-15-7-23(8-16-27)31(43)21-3-11-25(12-4-21)36-32(44)45/h1-16,28-31,36,40-43H,17-18H2,(H,37,46)(H,38,47)(H,44,45)/t28?,29?,30?,31? |
 |
| SMILES (mnx) | [CH:1]1=[CH:9][C:24]([N:35]=[C:19]=[O:39])=[CH:10][CH:2]=[C:20]1[CH:30]([C:22]1=[CH:6][CH:14]=[C:26]([NH:37][C:33](=[O:46])[O:48][CH2:17][CH:28]([CH:29]([CH2:18][O:49][C:34]([NH:38][C:27]2=[CH:16][CH:8]=[C:23]([CH:31]([C:21]3=[CH:4][CH:12]=[C:25]([NH:36][C:32](=[O:44])[OH:45])[CH:11]=[CH:3]3)[OH:43])[CH:7]=[CH:15]2)=[O:47])[OH:41])[OH:40])[CH:13]=[CH:5]1)[OH:42] |
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