| Properties | Image |
|---|
| MNX_ID | MNXM33309 |
 |
| reference | lipidmapsM:LMFA03120028 |
| formula | C29H39ClO11 |
| global charge | 0 |
| mol weight | 599.073 |
| InChIKey | WSNKKWSUXVPBMX-QIOHZNKMSA-N |
| InChI | InChI=1S/C29H39ClO11/c1-7-8-9-10-11-12-16-29(41-21(5)34)17-22(30)26(36)25(29)28(40-20(4)33)27(39-19(3)32)23(38-18(2)31)14-13-15-24(35)37-6/h8-9,11-12,17,23,25,27-28H,7,10,13-16H2,1-6H3/b9-8-,12-11-/t23-,25+,27+,28+,29+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C[C@@]1(OC(C)=O)C=C(Cl)C(=O)[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C29H39ClO11/c1-7-8-9-10-11-12-16-29(41-21(5)34)17-22(30)26(36)25(29)28(40-20(4)33)27(39-19(3)32)23(38-18(2)31)14-13-15-24(35)37-6/h8-9,11-12,17,23,25,27-28H,7,10,13-16H2,1-6H3/b9-8-,12-11-/t23-,25+,27+,28+,29+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:16][C@@:29]1([O:41][C:21]([CH3:5])=[O:34])[CH:17]=[C:22]([Cl:30])[C:26](=[O:36])[C@@H:25]1[C@H:28]([C@@H:27]([C@H:23]([CH2:14][CH2:13][CH2:15][C:24](=[O:35])[O:37][CH3:6])[O:38][C:18]([CH3:2])=[O:31])[O:39][C:19]([CH3:3])=[O:32])[O:40][C:20]([CH3:4])=[O:33] |
|