| Properties | Image |
|---|
| MNX_ID | MNXM1171632 |
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| reference | envipathM:...aafa8dd34bf7 |
| formula | C34H31N4O11 |
| global charge | -1 |
| mol weight | 671.639 |
| InChIKey | YXZRVQDZBOZIDP-UHFFFAOYSA-M |
| InChI | InChI=1S/C34H32N4O11/c39-19-35-23-9-3-20(4-10-23)28(40)21-5-13-25(14-6-21)37-33(46)48-17-1-2-18-49-34(47)38-27-16-15-26(30(42)31(27)43)29(41)22-7-11-24(12-8-22)36-32(44)45/h3-16,28-29,36,40-43H,1-2,17-18H2,(H,37,46)(H,38,47)(H,44,45)/p-1 |
| SMILES | O=C=NC1=CC=C(C(O)C2=CC=C(NC(=O)OCCCCOC(=O)NC3=CC=C(C(O)C4=CC=C(NC(=O)[O-])C=C4)C(O)=C3O)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H32N4O11/c39-19-35-23-9-3-20(4-10-23)28(40)21-5-13-25(14-6-21)37-33(46)48-17-1-2-18-49-34(47)38-27-16-15-26(30(42)31(27)43)29(41)22-7-11-24(12-8-22)36-32(44)45/h3-16,28-29,36,40-43H,1-2,17-18H2,(H,37,46)(H,38,47)(H,44,45)/t28?,29? |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:18][O:49][C:34](=[N:38][C:27]1=[C:31]([OH:43])[C:30]([OH:42])=[C:26]([CH:29]([C:22]2=[CH:8][CH:12]=[C:24]([NH:36][C:32](=[O:44])[OH:45])[CH:11]=[CH:7]2)[OH:41])[CH:15]=[CH:16]1)[OH:47])[CH2:17][O:48][C:33]([NH:37][C:25]1=[CH:14][CH:6]=[C:21]([CH:28]([C:20]2=[CH:4][CH:10]=[C:23]([N:35]=[C:19]=[O:39])[CH:9]=[CH:3]2)[OH:40])[CH:5]=[CH:13]1)=[O:46] |
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