| Properties | Image |
|---|
| MNX_ID | MNXM165398 |
 |
| reference | chebi:231889 |
| formula | C28H41ClNO9 |
| global charge | -1 |
| mol weight | 571.087 |
| InChIKey | HYQSCHJXSUDQHR-YEIDZEKPSA-M |
| InChI | InChI=1S/C28H42ClNO9/c1-7-8-9-15(2)23(32)17(4)24(33)16(3)12-22(38-5)25(34)26(39-6)27(35)30-20(28(36)37)14-18-10-11-21(31)19(29)13-18/h10-13,15,17,20,22-23,25-26,31-32,34H,7-9,14H2,1-6H3,(H,30,35)(H,36,37)/p-1/b16-12+/t15-,17+,20-,22-,23+,25-,26-/m1/s1 |
| SMILES | CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OC)C(=O)N[C@H](CC1=CC(Cl)=C(O)C=C1)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C28H42ClNO9/c1-7-8-9-15(2)23(32)17(4)24(33)16(3)12-22(38-5)25(34)26(39-6)27(35)30-20(28(36)37)14-18-10-11-21(31)19(29)13-18/h10-13,15,17,20,22-23,25-26,31-32,34H,7-9,14H2,1-6H3,(H,30,35)(H,36,37)/b16-12+/t15-,17+,20-,22-,23+,25-,26-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][C@@H:15]([CH3:2])[C@@H:23]([C@H:17]([CH3:4])[C:24](/[C:16]([CH3:3])=[CH:12]/[C@H:22]([C@H:25]([C@H:26]([C:27](=[N:30][C@H:20]([CH2:14][C:18]1=[CH:13][C:19]([Cl:29])=[C:21]([OH:31])[CH:11]=[CH:10]1)[C:28](=[O:36])[OH:37])[OH:35])[O:39][CH3:6])[OH:34])[O:38][CH3:5])=[O:33])[OH:32] |
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