| Properties | Image |
|---|
| MNX_ID | MNXM104069 |
 |
| reference | chebi:69855 |
| formula | C21H38O6 |
| global charge | 0 |
| mol weight | 386.529 |
| InChIKey | ZUIFOWRAXRUUGS-WOXVAYPUSA-N |
| InChI | InChI=1S/C21H38O6/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-27-21(19(25)14-23)20(26)18(24)13-22/h7,9,11,18-26H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-,19-,20-,21-/m1/s1 |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO |
MNX internals
| InChI (mnx) | InChI=1/C21H38O6/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-27-21(19(25)14-23)20(26)18(24)13-22/h7,9,11,18-26H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-,19-,20-,21-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:15]([CH3:2])=[CH:7][CH2:5][CH2:8]/[C:16]([CH3:3])=[CH:9]/[CH2:6][CH2:10]/[C:17]([CH3:4])=[CH:11]/[CH2:12][O:27][C@H:21]([C@@H:19]([CH2:14][OH:23])[OH:25])[C@@H:20]([C@@H:18]([CH2:13][OH:22])[OH:24])[OH:26] |
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