| Properties | Image |
| MNX_ID | MNXM148600 |
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| reference | metacycM:CPD-17503 |
| formula | C16H18O5 |
| global charge | 0 |
| mol weight | 290.315 |
| InChIKey | XMRJIGCECGGEGX-VQVVDHBBSA-N |
| InChI | InChI=1S/C16H18O5/c1-20-12-2-3-13(14(18)7-12)10-8-16(19)5-4-11(17)6-15(16)21-9-10/h2-3,6-7,10,18-19H,4-5,8-9H2,1H3/t10-,16?/m0/s1 |
| SMILES | COC1=CC=C([C@@H]2COC3=CC(=O)CCC3(O)C2)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C16H18O5/c1-20-12-2-3-13(14(18)7-12)10-8-16(19)5-4-11(17)6-15(16)21-9-10/h2-3,6-7,10,18-19H,4-5,8-9H2,1H3/t10-,16?/m0/s1 |
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| SMILES (mnx) | [CH3:1][O:20][C:12]1=[CH:7][C:14]([OH:18])=[C:13]([C@H:10]2[CH2:8][C:16]3([OH:19])[CH2:5][CH2:4][C:11](=[O:17])[CH:6]=[C:15]3[O:21][CH2:9]2)[CH:3]=[CH:2]1 |
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