| Properties | Image |
| MNX_ID | MNXM39242 |
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| reference | lipidmapsM:LMFA03110147 |
| formula | C20H34O5 |
| global charge | 0 |
| mol weight | 354.487 |
| InChIKey | RZCPXIZGLPAGEV-YKPSUEFWSA-N |
| InChI | InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18-,19+/m1/s1 |
| SMILES | CCCCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)CCCC(=O)O)[C@@H](O)C[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18-,19+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:10][C@@H:16]1[C@@H:17](/[CH:13]=[CH:12]/[C@@H:15]([CH2:9][CH2:8][CH2:11][C:20](=[O:24])[OH:25])[OH:21])[C@@H:19]([OH:23])[CH2:14][C@H:18]1[OH:22] |
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