| Properties | Image |
| MNX_ID | MNXM100948 |
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| reference | chebi:69325 |
| formula | C15H18O4 |
| global charge | 0 |
| mol weight | 262.305 |
| InChIKey | AOWQDAQVNAATGF-GSNHZRAGSA-N |
| InChI | InChI=1S/C15H18O4/c1-7-6-10(16)12-8(2)14(18)19-13(12)15(3)9(7)4-5-11(15)17/h4-5,7,9-10,12-13,16H,2,6H2,1,3H3/t7-,9+,10+,12-,13+,15+/m1/s1 |
| SMILES | C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@H](C)[C@@H]1C=CC(=O)[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C15H18O4/c1-7-6-10(16)12-8(2)14(18)19-13(12)15(3)9(7)4-5-11(15)17/h4-5,7,9-10,12-13,16H,2,6H2,1,3H3/t7-,9+,10+,12-,13+,15+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:7]1[CH2:6][C@H:10]([OH:16])[C@H:12]2[C:8](=[CH2:2])[C:14](=[O:18])[O:19][C@@H:13]2[C@@:15]2([CH3:3])[C@H:9]1[CH:4]=[CH:5][C:11]2=[O:17] |
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