| Properties | Image |
|---|
| MNX_ID | MNXM1130884 |
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| reference | lipidmapsM:LMGL05010033 |
| formula | C33H54O14 |
| global charge | 0 |
| mol weight | 674.781 |
| InChIKey | LGAPPEPKENDRBM-DYXOSTSTSA-N |
| InChI | InChI=1S/C33H54O14/c34-19-11-15-24(37)13-7-3-1-5-9-17-28(39)44-22-26(23-45-33-32(43)31(42)30(41)27(21-36)47-33)46-29(40)18-10-6-2-4-8-14-25(38)16-12-20-35/h11-12,15-16,19-20,24-27,30-33,36-38,41-43H,1-10,13-14,17-18,21-23H2/b15-11+,16-12+/t24?,25?,26-,27-,30+,31+,32-,33-/m1/s1 |
| SMILES | O=C/C=C/C(O)CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCC(O)/C=C/C=O |
MNX internals
| InChI (mnx) | InChI=1/C33H54O14/c34-19-11-15-24(37)13-7-3-1-5-9-17-28(39)44-22-26(23-45-33-32(43)31(42)30(41)27(21-36)47-33)46-29(40)18-10-6-2-4-8-14-25(38)16-12-20-35/h11-12,15-16,19-20,24-27,30-33,36-38,41-43H,1-10,13-14,17-18,21-23H2/b15-11+,16-12+/t24?,25?,26-,27-,30+,31+,32-,33-/m1/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:3][CH2:7][CH2:13][CH:24](/[CH:15]=[CH:11]/[CH:19]=[O:34])[OH:37])[CH2:5][CH2:9][CH2:17][C:28](=[O:39])[O:44][CH2:22][C@H:26]([CH2:23][O:45][C@H:33]1[C@H:32]([OH:43])[C@@H:31]([OH:42])[C@@H:30]([OH:41])[C@@H:27]([CH2:21][OH:36])[O:47]1)[O:46][C:29]([CH2:18][CH2:10][CH2:6][CH2:2][CH2:4][CH2:8][CH2:14][CH:25](/[CH:16]=[CH:12]/[CH:20]=[O:35])[OH:38])=[O:40] |
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