| Properties | Image |
MNX_ID | MNXM103936 |
 |
reference | chebi:70049 |
formula | C14H20O6 |
global charge | 0 |
mol weight | 284.308 |
InChIKey | SSVNIYICRYPPEB-RVEWEFICSA-N |
InChI | InChI=1S/C14H20O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5-12,15-16H,3-4H2,1-2H3/b7-5+,8-6+/t9-,10-,11+,12+/m1/s1 |
SMILES | C[C@@H]1CC[C@H](O)/C=C/C(=O)O[C@H](C)[C@@H](O)/C=C/C(=O)O1 |
MNX internals
InChI (mnx) | InChI=1/C14H20O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5-12,15-16H,3-4H2,1-2H3/b7-5+,8-6+/t9-,10-,11+,12+/m1/s1 |
 |
SMILES (mnx) | [CH3:1][C@@H:9]1[CH2:3][CH2:4][C@H:11]([OH:15])/[CH:5]=[CH:7]/[C:14](=[O:18])[O:20][C@H:10]([CH3:2])[C@@H:12]([OH:16])/[CH:6]=[CH:8]/[C:13](=[O:17])[O:19]1 |
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