| Properties | Image |
|---|
| MNX_ID | MNXM1369351 |
 |
| reference | metacycM:CPD-8703 |
| formula | C23H26N7O8 |
| global charge | -1 |
| mol weight | 528.502 |
| InChIKey | BVCJIPIDFYFHIC-KUZCPNRJSA-M |
| InChI | InChI=1S/C23H27N7O8/c1-10-2-14-15(3-11(10)5-29-6-12(25-9-29)4-13(24)22(36)37)30(7-16(32)19(34)17(33)8-31)20-18(26-14)21(35)28-23(38)27-20/h2-3,6,9,13,16-17,19,31-34H,4-5,7-8,24H2,1H3,(H2,28,35,36,37,38)/p-1/t13-,16-,17+,19-/m0/s1 |
| SMILES | CC1=C(CN2C=NC(C[C@H]([NH3+])C(=O)[O-])=C2)C=C2C(=C1)N=C1C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)CO |
MNX internals
| InChI (mnx) | InChI=1/C23H27N7O8/c1-10-2-14-15(3-11(10)5-29-6-12(25-9-29)4-13(24)22(36)37)30(7-16(32)19(34)17(33)8-31)20-18(26-14)21(35)28-23(38)27-20/h2-3,6,9,13,16-17,19,31-34H,4-5,7-8,24H2,1H3,(H2,28,35,36,37,38)/t13-,16-,17+,19-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:10]1=[CH:2][C:14]2=[C:15]([CH:3]=[C:11]1[CH2:5][N+:29]1=[CH:9][NH:25][C:12]([CH2:4][C@@H:13]([C:22](=[O:36])[OH:37])[NH2:24])=[CH:6]1)[N:30]([CH2:7][C@@H:16]([C@@H:19]([C@@H:17]([CH2:8][OH:31])[OH:33])[OH:34])[OH:32])[C:20]1=[N:27][C:23](=[O:38])[N:28]=[C:21]([O-:35])[C:18]1=[N:26]2 |
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