| Properties | Image |
|---|
| MNX_ID | MNXM105861 |
 |
| reference | chebi:70229 |
| formula | C25H16N4O6 |
| global charge | 0 |
| mol weight | 468.425 |
| InChIKey | UOIYCAXBKQXVOD-SNVBAGLBSA-N |
| InChI | InChI=1S/C25H16N4O6/c30-15-5-1-3-12-21(15)28-23-14(26-12)7-10(8-18(23)33)19-17(32)9-11(25(34)35)20-24(19)29-22-13(27-20)4-2-6-16(22)31/h1-6,9-10,30-32H,7-8H2,(H,34,35)/t10-/m1/s1 |
| SMILES | O=C(O)C1=C2N=C3C=CC=C(O)C3=NC2=C([C@H]2CC(=O)C3=NC4=C(C=CC=C4O)N=C3C2)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H16N4O6/c30-15-5-1-3-12-21(15)28-23-14(26-12)7-10(8-18(23)33)19-17(32)9-11(25(34)35)20-24(19)29-22-13(27-20)4-2-6-16(22)31/h1-6,9-10,30-32H,7-8H2,(H,34,35)/t10-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:12]2=[C:21]([C:15]([OH:30])=[CH:5]1)[N:28]=[C:23]1[C:14](=[N:26]2)[CH2:7][C@@H:10]([C:19]2=[C:17]([OH:32])[CH:9]=[C:11]([C:25](=[O:34])[OH:35])[C:20]3=[N:27][C:13]4=[C:22]([C:16]([OH:31])=[CH:6][CH:2]=[CH:4]4)[N:29]=[C:24]23)[CH2:8][C:18]1=[O:33] |
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