| Properties | Image |
|---|
| MNX_ID | MNXM1184796 |
 |
| reference | envipathM:...d921cf33aaf5 |
| formula | C34H28N4O12 |
| global charge | 0 |
| mol weight | 684.614 |
| InChIKey | ANKYACIMJLAIDI-UHFFFAOYSA-N |
| InChI | InChI=1S/C34H28N4O12/c39-17-35-22-9-3-19(4-10-22)27(41)20-7-13-24(14-8-20)37-33(47)49-15-1-2-16-50-34(48)38-26-31(45)29(43)25(30(44)32(26)46)28(42)21-5-11-23(12-6-21)36-18-40/h3-14,27,41,43-46H,1-2,15-16H2,(H,37,47)(H,38,48) |
| SMILES | O=C=NC1=CC=C(C(=O)C2=C(O)C(O)=C(NC(=O)OCCCCOC(=O)NC3=CC=C(C(O)C4=CC=C(N=C=O)C=C4)C=C3)C(O)=C2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H28N4O12/c39-17-35-22-9-3-19(4-10-22)27(41)20-7-13-24(14-8-20)37-33(47)49-15-1-2-16-50-34(48)38-26-31(45)29(43)25(30(44)32(26)46)28(42)21-5-11-23(12-6-21)36-18-40/h3-14,27,41,43-46H,1-2,15-16H2,(H,37,47)(H,38,48)/t27? |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:16][O:50][C:34](=[N:38][C:26]1=[C:31]([OH:45])[C:29]([OH:43])=[C:25]([C:28]([C:21]2=[CH:6][CH:12]=[C:23]([N:36]=[C:18]=[O:40])[CH:11]=[CH:5]2)=[O:42])[C:30]([OH:44])=[C:32]1[OH:46])[OH:48])[CH2:15][O:49][C:33]([NH:37][C:24]1=[CH:14][CH:8]=[C:20]([CH:27]([C:19]2=[CH:4][CH:10]=[C:22]([N:35]=[C:17]=[O:39])[CH:9]=[CH:3]2)[OH:41])[CH:7]=[CH:13]1)=[O:47] |
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