| Properties | Image |
|---|
| MNX_ID | MNXM1190932 |
 |
| reference | envipathM:...47b92345742b |
| formula | C34H31N4O11 |
| global charge | -1 |
| mol weight | 671.639 |
| InChIKey | ANDXUWPOHUMERE-UHFFFAOYSA-M |
| InChI | InChI=1S/C34H32N4O11/c39-19-35-24-7-1-22(2-8-24)16-23-17-28(41)29(31(43)30(23)42)38-34(47)48-14-13-27(40)18-49-33(46)37-26-11-5-21(6-12-26)15-20-3-9-25(10-4-20)36-32(44)45/h1-12,17,27,36,40-43H,13-16,18H2,(H,37,46)(H,38,47)(H,44,45)/p-1 |
| SMILES | O=C=NC1=CC=C(CC2=C(O)C(O)=C(NC(=O)OCCC(O)COC(=O)NC3=CC=C(CC4=CC=C(NC(=O)[O-])C=C4)C=C3)C(O)=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H32N4O11/c39-19-35-24-7-1-22(2-8-24)16-23-17-28(41)29(31(43)30(23)42)38-34(47)48-14-13-27(40)18-49-33(46)37-26-11-5-21(6-12-26)15-20-3-9-25(10-4-20)36-32(44)45/h1-12,17,27,36,40-43H,13-16,18H2,(H,37,46)(H,38,47)(H,44,45)/t27? |
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| SMILES (mnx) | [CH:1]1=[CH:7][C:24]([N:35]=[C:19]=[O:39])=[CH:8][CH:2]=[C:22]1[CH2:16][C:23]1=[CH:17][C:28]([OH:41])=[C:29]([N:38]=[C:34]([OH:47])[O:48][CH2:14][CH2:13][CH:27]([CH2:18][O:49][C:33]([NH:37][C:26]2=[CH:12][CH:6]=[C:21]([CH2:15][C:20]3=[CH:4][CH:10]=[C:25]([NH:36][C:32](=[O:44])[OH:45])[CH:9]=[CH:3]3)[CH:5]=[CH:11]2)=[O:46])[OH:40])[C:31]([OH:43])=[C:30]1[OH:42] |
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