| Properties | Image |
|---|
| MNX_ID | MNXM33311 |
 |
| reference | lipidmapsM:LMFA03120042 |
| formula | C27H37ClO9 |
| global charge | 0 |
| mol weight | 541.037 |
| InChIKey | FENNCULYSXFRFR-NMJPUUGUSA-N |
| InChI | InChI=1S/C27H37ClO9/c1-6-7-8-9-10-11-15-27(37-20(4)31)17-22(28)26(33)21(27)16-24(36-19(3)30)23(35-18(2)29)13-12-14-25(32)34-5/h7-8,10-11,17,21,23-24H,6,9,12-16H2,1-5H3/b8-7-,11-10-/t21-,23-,24-,27+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C[C@@]1(OC(C)=O)C=C(Cl)C(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C27H37ClO9/c1-6-7-8-9-10-11-15-27(37-20(4)31)17-22(28)26(33)21(27)16-24(36-19(3)30)23(35-18(2)29)13-12-14-25(32)34-5/h7-8,10-11,17,21,23-24H,6,9,12-16H2,1-5H3/b8-7-,11-10-/t21-,23-,24-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:15][C@@:27]1([O:37][C:20]([CH3:4])=[O:31])[CH:17]=[C:22]([Cl:28])[C:26](=[O:33])[C@@H:21]1[CH2:16][C@@H:24]([C@H:23]([CH2:13][CH2:12][CH2:14][C:25](=[O:32])[O:34][CH3:5])[O:35][C:18]([CH3:2])=[O:29])[O:36][C:19]([CH3:3])=[O:30] |
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