| Properties | Image |
|---|
| MNX_ID | MNXM165399 |
 |
| reference | chebi:231890 |
| formula | C29H43ClNO9 |
| global charge | -1 |
| mol weight | 585.114 |
| InChIKey | GOTORXHCOMNKGN-HKTLKUQXSA-M |
| InChI | InChI=1S/C29H44ClNO9/c1-7-9-10-16(3)24(33)18(5)25(34)17(4)13-23(39-6)26(35)27(40-8-2)28(36)31-21(29(37)38)15-19-11-12-22(32)20(30)14-19/h11-14,16,18,21,23-24,26-27,32-33,35H,7-10,15H2,1-6H3,(H,31,36)(H,37,38)/p-1/b17-13+/t16-,18+,21-,23-,24+,26-,27-/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](OCC)C(=O)N[C@H](CC1=CC(Cl)=C(O)C=C1)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C29H44ClNO9/c1-7-9-10-16(3)24(33)18(5)25(34)17(4)13-23(39-6)26(35)27(40-8-2)28(36)31-21(29(37)38)15-19-11-12-22(32)20(30)14-19/h11-14,16,18,21,23-24,26-27,32-33,35H,7-10,15H2,1-6H3,(H,31,36)(H,37,38)/b17-13+/t16-,18+,21-,23-,24+,26-,27-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:10][C@@H:16]([CH3:3])[C@@H:24]([C@H:18]([CH3:5])[C:25](/[C:17]([CH3:4])=[CH:13]/[C@H:23]([C@H:26]([C@H:27]([C:28](=[N:31][C@H:21]([CH2:15][C:19]1=[CH:14][C:20]([Cl:30])=[C:22]([OH:32])[CH:12]=[CH:11]1)[C:29](=[O:37])[OH:38])[OH:36])[O:40][CH2:8][CH3:2])[OH:35])[O:39][CH3:6])=[O:34])[OH:33] |
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