| Properties | Image |
|---|
| MNX_ID | MNXM1198505 |
 |
| reference | envipathM:...1cfde526963b |
| formula | C34H29N4O12 |
| global charge | -1 |
| mol weight | 685.622 |
| InChIKey | XSQFIINPUJWTHJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C34H30N4O12/c39-18-35-22-7-1-19(2-8-22)15-20-3-9-23(10-4-20)36-33(47)49-14-13-25(40)17-50-34(48)37-24-11-5-21(6-12-24)29(42)26-16-27(41)28(38-32(45)46)31(44)30(26)43/h1-12,16,29,38,41-44H,13-15,17H2,(H,36,47)(H,37,48)(H,45,46)/p-1 |
| SMILES | O=C=NC1=CC=C(CC2=CC=C(NC(=O)OCCC(=O)COC(=O)NC3=CC=C(C(O)C4=C(O)C(O)=C(NC(=O)[O-])C(O)=C4)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H30N4O12/c39-18-35-22-7-1-19(2-8-22)15-20-3-9-23(10-4-20)36-33(47)49-14-13-25(40)17-50-34(48)37-24-11-5-21(6-12-24)29(42)26-16-27(41)28(38-32(45)46)31(44)30(26)43/h1-12,16,29,38,41-44H,13-15,17H2,(H,36,47)(H,37,48)(H,45,46)/t29? |
 |
| SMILES (mnx) | [CH:1]1=[CH:7][C:22]([N:35]=[C:18]=[O:39])=[CH:8][CH:2]=[C:19]1[CH2:15][C:20]1=[CH:4][CH:10]=[C:23]([NH:36][C:33](=[O:47])[O:49][CH2:14][CH2:13][C:25]([CH2:17][O:50][C:34]([NH:37][C:24]2=[CH:12][CH:6]=[C:21]([CH:29]([C:26]3=[CH:16][C:27]([OH:41])=[C:28]([NH:38][C:32](=[O:45])[OH:46])[C:31]([OH:44])=[C:30]3[OH:43])[OH:42])[CH:5]=[CH:11]2)=[O:48])=[O:40])[CH:9]=[CH:3]1 |
|