| Properties | Image (std) | Image (mnx) |
MNX_ID | MNXM1377280 |
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reference | chebi:190932 |
formula (std) | C13H16O4 |
global charge (std) | 0 |
mol weight (std) | 236.267 |
InChIKey (std) | BPIMOIWHAHUBPJ-SSDOTTSWSA-N |
InChI (std) | InChI=1S/C13H16O4/c1-4-8-9(14)6-11(16-3)12-10(15)5-7(2)17-13(8)12/h6-7,14H,4-5H2,1-3H3/t7-/m1/s1 |
InChI (mnx) | InChI=1/C13H16O4/c1-4-8-9(14)6-11(16-3)12-10(15)5-7(2)17-13(8)12/h6-7,14H,4-5H2,1-3H3/t7-/m1/s1 |
SMILES (std) | CCC1=C(O)C=C(OC)C2=C1O[C@H](C)CC2=O |
SMILES (mnx) | [CH3:1][CH2:4][C:8]1=[C:13]2[C:12](=[C:11]([O:16][CH3:3])[CH:6]=[C:9]1[OH:14])[C:10](=[O:15])[CH2:5][C@@H:7]([CH3:2])[O:17]2 |
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