| Properties | Image |
|---|
| MNX_ID | MNXM1186774 |
 |
| reference | envipathM:...6c3d462c8fc5 |
| formula | C34H28N4O11 |
| global charge | 0 |
| mol weight | 668.615 |
| InChIKey | BOGSQJXEIRWYND-UHFFFAOYSA-N |
| InChI | InChI=1S/C34H28N4O11/c39-18-35-23-7-1-20(2-8-23)29(42)21-3-9-25(10-4-21)38-34(47)49-17-26(41)15-16-48-33(46)37-24-11-5-22(6-12-24)30(43)27-13-14-28(36-19-40)32(45)31(27)44/h1-14,26,29,41-42,44-45H,15-17H2,(H,37,46)(H,38,47) |
| SMILES | O=C=NC1=CC=C(C(O)C2=CC=C(NC(=O)OCC(O)CCOC(=O)NC3=CC=C(C(=O)C4=CC=C(N=C=O)C(O)=C4O)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H28N4O11/c39-18-35-23-7-1-20(2-8-23)29(42)21-3-9-25(10-4-21)38-34(47)49-17-26(41)15-16-48-33(46)37-24-11-5-22(6-12-24)30(43)27-13-14-28(36-19-40)32(45)31(27)44/h1-14,26,29,41-42,44-45H,15-17H2,(H,37,46)(H,38,47)/t26?,29? |
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| SMILES (mnx) | [CH:1]1=[CH:7][C:23]([N:35]=[C:18]=[O:39])=[CH:8][CH:2]=[C:20]1[CH:29]([C:21]1=[CH:4][CH:10]=[C:25]([NH:38][C:34](=[O:47])[O:49][CH2:17][CH:26]([CH2:15][CH2:16][O:48][C:33]([NH:37][C:24]2=[CH:12][CH:6]=[C:22]([C:30]([C:27]3=[C:31]([OH:44])[C:32]([OH:45])=[C:28]([N:36]=[C:19]=[O:40])[CH:14]=[CH:13]3)=[O:43])[CH:5]=[CH:11]2)=[O:46])[OH:41])[CH:9]=[CH:3]1)[OH:42] |
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