| Properties | Image |
|---|
| MNX_ID | MNXM105074 |
 |
| reference | chebi:69016 |
| formula | C21H19N5O7 |
| global charge | 0 |
| mol weight | 453.411 |
| InChIKey | OLYXGVRSMULUQN-CGTJXYLNSA-N |
| InChI | InChI=1S/C21H19N5O7/c22-13-12(19(23)32)16(29)15(18(31)17(13)30)24-9-6-7(4-5-10(9)27)20-25-14-8(21(33)26-20)2-1-3-11(14)28/h1-6,15,17-18,24,27-28,30-31H,22H2,(H2,23,32)(H,25,26,33)/t15-,17+,18+/m0/s1 |
| SMILES | NC(=O)C1=C(N)[C@@H](O)[C@H](O)[C@@H](NC2=C(O)C=CC(C3=NC4=C(O)C=CC=C4C(=O)N3)=C2)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C21H19N5O7/c22-13-12(19(23)32)16(29)15(18(31)17(13)30)24-9-6-7(4-5-10(9)27)20-25-14-8(21(33)26-20)2-1-3-11(14)28/h1-6,15,17-18,24,27-28,30-31H,22H2,(H2,23,32)(H,25,26,33)/t15-,17+,18+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:8]2=[C:14]([C:11]([OH:28])=[CH:3]1)[N:25]=[C:20]([C:7]1=[CH:6][C:9]([NH:24][C@H:15]3[C:16](=[O:29])[C:12]([C:19](=[NH:23])[OH:32])=[C:13]([NH2:22])[C@@H:17]([OH:30])[C@@H:18]3[OH:31])=[C:10]([OH:27])[CH:5]=[CH:4]1)[N:26]=[C:21]2[OH:33] |
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