| Properties | Image |
|---|
| MNX_ID | MNXM16249 |
 |
| reference | metacycM:CPD-4607 |
| formula | C18H21N5O5 |
| global charge | 0 |
| mol weight | 387.396 |
| InChIKey | MFMRRPHRZQYKIJ-YYZLIPTLSA-N |
| InChI | InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-17-12(23)16(20-8-21-17)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13-,14+,15-,18+/m1/s1 |
| SMILES | OC[C@H]1O[C@H](N2C=NC3=C2C(NCC2=CC=CC=C2)=NC=N3)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-17-12(23)16(20-8-21-17)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13-,14+,15-,18+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:10]([CH2:6][NH:19][C:16]2=[C:12]3[C:17](=[N:21][CH:8]=[N:20]2)[N:22]=[CH:9][N:23]3[C@@H:18]2[C@H:15]([OH:27])[C@@H:14]([OH:26])[C@H:13]([OH:25])[C@@H:11]([CH2:7][OH:24])[O:28]2)[CH:5]=[CH:3]1 |
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