| Properties | Image |
|---|
| MNX_ID | MNXM46056 |
 |
| reference | chebi:3532 |
| formula | C20H24O3 |
| global charge | 0 |
| mol weight | 312.409 |
| InChIKey | VKLGDLFSGNHXAV-UXHICEINSA-N |
| InChI | InChI=1S/C20H24O3/c1-22-18-13-8-16(9-14-18)20-4-2-3-19(23-20)12-7-15-5-10-17(21)11-6-15/h5-6,8-11,13-14,19-21H,2-4,7,12H2,1H3/t19-,20+/m1/s1 |
| SMILES | COC1=CC=C([C@@H]2CCC[C@H](CCC3=CC=C(O)C=C3)O2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H24O3/c1-22-18-13-8-16(9-14-18)20-4-2-3-19(23-20)12-7-15-5-10-17(21)11-6-15/h5-6,8-11,13-14,19-21H,2-4,7,12H2,1H3/t19-,20+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:22][C:18]1=[CH:14][CH:9]=[C:16]([C@@H:20]2[CH2:4][CH2:2][CH2:3][C@H:19]([CH2:12][CH2:7][C:15]3=[CH:6][CH:11]=[C:17]([OH:21])[CH:10]=[CH:5]3)[O:23]2)[CH:8]=[CH:13]1 |
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