| Properties | Image |
|---|
| MNX_ID | MNXM12358 |
 |
| reference | metacycM:CPD-10083 |
| formula | C22H27N7O6 |
| global charge | 0 |
| mol weight | 485.501 |
| InChIKey | SYBVJJYTHAJORG-VJYWYSEJSA-N |
| InChI | InChI=1S/C22H27N7O6/c1-11(31)27-14(7-12-3-5-13(32)6-4-12)21(34)28-16-15(8-30)35-22(18(16)33)29-10-26-17-19(23-2)24-9-25-20(17)29/h3-6,9-10,14-16,18,22,30,32-33H,7-8H2,1-2H3,(H,27,31)(H,28,34)(H,23,24,25)/t14?,15-,16?,18-,22?/m1/s1 |
| SMILES | CNC1=NC=NC2=C1N=CN2C1O[C@H](CO)C(NC(=O)C(CC2=CC=C(O)C=C2)NC(C)=O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C22H27N7O6/c1-11(31)27-14(7-12-3-5-13(32)6-4-12)21(34)28-16-15(8-30)35-22(18(16)33)29-10-26-17-19(23-2)24-9-25-20(17)29/h3-6,9-10,14-16,18,22,30,32-33H,7-8H2,1-2H3,(H,27,31)(H,28,34)(H,23,24,25)/t14?,15-,16?,18-,22?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:11](=[N:27][CH:14]([CH2:7][C:12]1=[CH:4][CH:6]=[C:13]([OH:32])[CH:5]=[CH:3]1)[C:21](=[N:28][CH:16]1[C@@H:15]([CH2:8][OH:30])[O:35][CH:22]([N:29]2[CH:10]=[N:26][C:17]3=[C:19]([NH:23][CH3:2])[N:24]=[CH:9][N:25]=[C:20]32)[C@@H:18]1[OH:33])[OH:34])[OH:31] |
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