| Properties | Image |
|---|
| MNX_ID | MNXM1386095 |
 |
| reference | chebi:204034 |
| formula | C21H32O3 |
| global charge | 0 |
| mol weight | 332.484 |
| InChIKey | SAHYKMIMGJKBCR-YGFWDGJMSA-N |
| InChI | InChI=1S/C21H32O3/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)20-17(6)19(22)18(7)21(23)24-20/h11-14,22H,8-10H2,1-7H3/b15-11+,16-12-/t13-,14-/m0/s1 |
| SMILES | CCC[C@H](C)C[C@H](C)/C=C(C)/C=C(/C)C1=C(C)C(O)=C(C)C(=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C21H32O3/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)20-17(6)19(22)18(7)21(23)24-20/h11-14,22H,8-10H2,1-7H3/b15-11+,16-12-/t13-,14-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:8][CH2:9][C@H:13]([CH3:2])[CH2:10][C@H:14]([CH3:3])/[CH:11]=[C:15]([CH3:4])/[CH:12]=[C:16](/[CH3:5])[C:20]1=[C:17]([CH3:6])[C:19]([OH:22])=[C:18]([CH3:7])[C:21](=[O:23])[O:24]1 |
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