| Properties | Image | with InChI numbering | Occurences in reactions |
MNX_ID | MNXM732873 |
 |
 |
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 2 |
in models (compartimentalized) |
0 |
|
formula | C23H23N4O9 |
charge | -1 |
mass | 499.456 |
reference | metacycM:ISONOCARDICIN-A |
InChIKey | CTNZOGJNVIFEBA-NLRVBDNBSA-M |
InChI | InChI=1S/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-17,19,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/p-1/b26-18+ |
SMILES | [cH:1]1[cH:5][c:14]([OH:28])[cH:6][cH:2][c:13]1[CH:19]([C:23](=[O:33])[OH:34])[N:27]1[CH2:11][CH:17](/[N:25]=[C:20]([C:18](/[c:12]2[cH:3][cH:7][c:15]([O:36][CH2:10][CH2:9][CH:16]([C:22](=[O:31])[OH:32])[NH2:24])[cH:8][cH:4]2)=[N:26]/[OH:35])\[OH:29])[C:21]1=[O:30] |
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