| Properties | Image |
|---|
| MNX_ID | MNXM1198022 |
 |
| reference | envipathM:...7261b34e74c6 |
| formula | C22H21ClNO9 |
| global charge | -1 |
| mol weight | 478.861 |
| InChIKey | FWZLFWREAMMRLX-UHFFFAOYSA-M |
| InChI | InChI=1S/C22H22ClNO9/c1-21(32)7-6-8-15(24(2)3)17(27)13(20(30)31)19(29)22(8,33)18(28)11(7)16(26)12-10(25)5-4-9(23)14(12)21/h4-5,7-8,13,15,25-26,32-33H,6H2,1-3H3,(H,30,31)/p-1 |
| SMILES | CN(C)C1C(=O)C(C(=O)[O-])C(=O)C2(O)C(=O)C3=C(O)C4=C(C(Cl)=CC=C4O)C(C)(O)C3CC12 |
MNX internals
| InChI (mnx) | InChI=1/C22H22ClNO9/c1-21(32)7-6-8-15(24(2)3)17(27)13(20(30)31)19(29)22(8,33)18(28)11(7)16(26)12-10(25)5-4-9(23)14(12)21/h4-5,7-8,13,15,25-26,32-33H,6H2,1-3H3,(H,30,31)/t7?,8?,13?,15?,21?,22? |
 |
| SMILES (mnx) | [CH3:1][C:21]1([OH:32])[CH:7]2[CH2:6][CH:8]3[CH:15]([N:24]([CH3:2])[CH3:3])[C:17](=[O:27])[CH:13]([C:20](=[O:30])[OH:31])[C:19](=[O:29])[C:22]3([OH:33])[C:18](=[O:28])[C:11]2=[C:16]([OH:26])[C:12]2=[C:10]([OH:25])[CH:5]=[CH:4][C:9]([Cl:23])=[C:14]21 |
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