| Properties | Image |
|---|
| MNX_ID | MNXM1191874 |
 |
| reference | envipathM:...6efebce81c16 |
| formula | C34H31N4O13 |
| global charge | -1 |
| mol weight | 703.637 |
| InChIKey | LNRRNUDUEMJRKK-UHFFFAOYSA-M |
| InChI | InChI=1S/C34H32N4O13/c39-17-35-21-11-5-20(6-12-21)27(41)25-28(42)30(44)26(31(45)29(25)43)38-34(49)50-14-13-24(40)16-51-33(48)37-23-9-3-19(4-10-23)15-18-1-7-22(8-2-18)36-32(46)47/h1-12,24,27,36,40-45H,13-16H2,(H,37,48)(H,38,49)(H,46,47)/p-1 |
| SMILES | O=C=NC1=CC=C(C(O)C2=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)=C2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H32N4O13/c39-17-35-21-11-5-20(6-12-21)27(41)25-28(42)30(44)26(31(45)29(25)43)38-34(49)50-14-13-24(40)16-51-33(48)37-23-9-3-19(4-10-23)15-18-1-7-22(8-2-18)36-32(46)47/h1-12,24,27,36,40-45H,13-16H2,(H,37,48)(H,38,49)(H,46,47)/t24?,27? |
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| SMILES (mnx) | [CH:1]1=[CH:7][C:22]([NH:36][C:32](=[O:46])[OH:47])=[CH:8][CH:2]=[C:18]1[CH2:15][C:19]1=[CH:4][CH:10]=[C:23]([NH:37][C:33](=[O:48])[O:51][CH2:16][CH:24]([CH2:13][CH2:14][O:50][C:34](=[N:38][C:26]2=[C:30]([OH:44])[C:28]([OH:42])=[C:25]([CH:27]([C:20]3=[CH:6][CH:12]=[C:21]([N:35]=[C:17]=[O:39])[CH:11]=[CH:5]3)[OH:41])[C:29]([OH:43])=[C:31]2[OH:45])[OH:49])[OH:40])[CH:9]=[CH:3]1 |
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