| Properties | Image |
|---|
| MNX_ID | MNXM106115 |
 |
| reference | chebi:68007 |
| formula | C25H34O4 |
| global charge | 0 |
| mol weight | 398.543 |
| InChIKey | HDTIRSDZUHKVQB-HTXNQAPBSA-N |
| InChI | InChI=1S/C25H34O4/c1-19(17-18-22-20(2)23(26)24(28-3)25(27)29-22)13-9-6-4-5-7-10-14-21-15-11-8-12-16-21/h8,11-12,15-17,26H,4-7,9-10,13-14,18H2,1-3H3/b19-17+ |
| SMILES | COC1=C(O)C(C)=C(C/C=C(\C)CCCCCCCCC2=CC=CC=C2)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C25H34O4/c1-19(17-18-22-20(2)23(26)24(28-3)25(27)29-22)13-9-6-4-5-7-10-14-21-15-11-8-12-16-21/h8,11-12,15-17,26H,4-7,9-10,13-14,18H2,1-3H3/b19-17+ |
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| SMILES (mnx) | [CH3:1]/[C:19]([CH2:13][CH2:9][CH2:6][CH2:4][CH2:5][CH2:7][CH2:10][CH2:14][C:21]1=[CH:15][CH:11]=[CH:8][CH:12]=[CH:16]1)=[CH:17]\[CH2:18][C:22]1=[C:20]([CH3:2])[C:23]([OH:26])=[C:24]([O:28][CH3:3])[C:25](=[O:27])[O:29]1 |
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