| Properties | Image |
|---|
| MNX_ID | MNXM1189529 |
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| reference | envipathM:...1b4458179f58 |
| formula | C34H32N4O13 |
| global charge | -2 |
| mol weight | 704.645 |
| InChIKey | QYQGRKJIWMBSTJ-UHFFFAOYSA-L |
| InChI | InChI=1S/C34H34N4O13/c39-25-17-24(38-32(46)47)29(42)30(43)26(25)28(41)20-7-13-23(14-8-20)37-34(49)51-16-2-1-15-50-33(48)36-22-11-5-19(6-12-22)27(40)18-3-9-21(10-4-18)35-31(44)45/h3-14,17,27-28,35,38-43H,1-2,15-16H2,(H,36,48)(H,37,49)(H,44,45)(H,46,47)/p-2 |
| SMILES | O=C([O-])NC1=CC=C(C(O)C2=CC=C(NC(=O)OCCCCOC(=O)NC3=CC=C(C(O)C4=C(O)C(O)=C(NC(=O)[O-])C=C4O)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H34N4O13/c39-25-17-24(38-32(46)47)29(42)30(43)26(25)28(41)20-7-13-23(14-8-20)37-34(49)51-16-2-1-15-50-33(48)36-22-11-5-19(6-12-22)27(40)18-3-9-21(10-4-18)35-31(44)45/h3-14,17,27-28,35,38-43H,1-2,15-16H2,(H,36,48)(H,37,49)(H,44,45)(H,46,47)/t27?,28? |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:16][O:51][C:34]([NH:37][C:23]1=[CH:14][CH:8]=[C:20]([CH:28]([C:26]2=[C:25]([OH:39])[CH:17]=[C:24]([NH:38][C:32](=[O:46])[OH:47])[C:29]([OH:42])=[C:30]2[OH:43])[OH:41])[CH:7]=[CH:13]1)=[O:49])[CH2:15][O:50][C:33]([NH:36][C:22]1=[CH:12][CH:6]=[C:19]([CH:27]([C:18]2=[CH:4][CH:10]=[C:21]([NH:35][C:31](=[O:44])[OH:45])[CH:9]=[CH:3]2)[OH:40])[CH:5]=[CH:11]1)=[O:48] |
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