| Properties | Image |
MNX_ID | MNXM102010 |
 |
reference | chebi:68704 |
formula | C16H20O6 |
global charge | 0 |
mol weight | 308.33 |
InChIKey | IEOXNDOOKTVJRQ-DRBGTSAUSA-N |
InChI | InChI=1S/C16H20O6/c1-8-13(18)3-2-11(21-8)7-12-5-9-4-10(17)6-14(19)15(9)16(20)22-12/h4,6,8,11-13,17-19H,2-3,5,7H2,1H3/t8-,11+,12?,13?/m0/s1 |
SMILES | C[C@@H]1O[C@@H](CC2CC3=CC(O)=CC(O)=C3C(=O)O2)CCC1O |
MNX internals
InChI (mnx) | InChI=1/C16H20O6/c1-8-13(18)3-2-11(21-8)7-12-5-9-4-10(17)6-14(19)15(9)16(20)22-12/h4,6,8,11-13,17-19H,2-3,5,7H2,1H3/t8-,11+,12?,13?/m0/s1 |
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SMILES (mnx) | [CH3:1][C@H:8]1[CH:13]([OH:18])[CH2:3][CH2:2][C@H:11]([CH2:7][CH:12]2[CH2:5][C:9]3=[CH:4][C:10]([OH:17])=[CH:6][C:14]([OH:19])=[C:15]3[C:16](=[O:20])[O:22]2)[O:21]1 |
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