| Properties | Image |
| MNX_ID | MNXM29456 |
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| reference | lipidmapsM:LMSL05000001 |
| formula | C18H32O8 |
| global charge | 0 |
| mol weight | 376.446 |
| InChIKey | SLOAWEZLWSROFF-CUWKQTPXSA-N |
| InChI | InChI=1S/C18H32O8/c1-3-5-7-9-13(20)25-16-15(22)12(11-19)24-18(23)17(16)26-14(21)10-8-6-4-2/h12,15-19,22-23H,3-11H2,1-2H3/t12-,15-,16+,17-,18+/m1/s1 |
| SMILES | CCCCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCCC)[C@H](O)[C@@H](CO)O[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C18H32O8/c1-3-5-7-9-13(20)25-16-15(22)12(11-19)24-18(23)17(16)26-14(21)10-8-6-4-2/h12,15-19,22-23H,3-11H2,1-2H3/t12-,15-,16+,17-,18+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][C:13](=[O:20])[O:25][C@H:16]1[C@H:15]([OH:22])[C@@H:12]([CH2:11][OH:19])[O:24][C@H:18]([OH:23])[C@@H:17]1[O:26][C:14]([CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:21] |
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