| Properties | Image |
|---|
| MNX_ID | MNXM744451 |
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| reference | biggM:4hmdgluc |
| formula | C24H21ClFN3O7 |
| global charge | 0 |
| mol weight | 517.897 |
| InChIKey | MPHAZAPYEZYBRV-UHFFFAOYSA-N |
| InChI | InChI=1S/C24H21ClFN3O7/c1-10-27-9-16-22(36-24-20(32)18(30)19(31)21(35-24)23(33)34)28-17(12-4-2-3-5-14(12)26)13-8-11(25)6-7-15(13)29(10)16/h2-9,18-22,24,30-32H,1H3,(H,33,34) |
| SMILES | CC1=NC=C2C(OC3OC(C(=O)O)C(O)C(O)C3O)N=C(C3=CC=CC=C3F)C3=CC(Cl)=CC=C3N21 |
MNX internals
| InChI (mnx) | InChI=1/C24H21ClFN3O7/c1-10-27-9-16-22(36-24-20(32)18(30)19(31)21(35-24)23(33)34)28-17(12-4-2-3-5-14(12)26)13-8-11(25)6-7-15(13)29(10)16/h2-9,18-22,24,30-32H,1H3,(H,33,34)/t18?,19?,20?,21?,22?,24? |
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| SMILES (mnx) | [CH3:1][C:10]1=[N:27][CH:9]=[C:16]2[CH:22]([O:36][CH:24]3[CH:20]([OH:32])[CH:18]([OH:30])[CH:19]([OH:31])[CH:21]([C:23](=[O:33])[OH:34])[O:35]3)[N:28]=[C:17]([C:12]3=[CH:4][CH:2]=[CH:3][CH:5]=[C:14]3[F:26])[C:13]3=[C:15]([CH:7]=[CH:6][C:11]([Cl:25])=[CH:8]3)[N:29]12 |
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