| Properties | Image |
|---|
| MNX_ID | MNXM155751 |
 |
| reference | chebi:31548 |
| formula | C20H31NaO5 |
| global charge | 0 |
| mol weight | 374.453 |
| InChIKey | LMHIPJMTZHDKEW-XQYLJSSYSA-M |
| InChI | InChI=1S/C20H32O5.Na/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22;/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24);/q;+1/p-1/b11-10+,15-8-;/t14-,16+,17+,18+,19-;/m0./s1 |
| SMILES | CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)[O-])O[C@H]2C[C@H]1O.[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C20H32O5.Na/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22;/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24);/q;+1/b11-10+,15-8-;/t14-,16+,17+,18+,19-;/m0./s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:7][C@@H:14](/[CH:10]=[CH:11]/[C@@H:16]1[C@H:17]2[CH2:12]/[C:15](=[CH:8]/[CH2:5][CH2:6][CH2:9][C:20](=[O:23])[OH:24])[O:25][C@H:19]2[CH2:13][C@H:18]1[OH:22])[OH:21].[Na+:26] |
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