| Properties | Image |
|---|
| MNX_ID | MNXM103369 |
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| reference | chebi:65538 |
| formula | C24H36O6 |
| global charge | 0 |
| mol weight | 420.546 |
| InChIKey | LCCGCXCFZHBCJT-SFQUDFHCSA-N |
| InChI | InChI=1S/C24H36O6/c1-5-7-10-16-21(26)24(30-19-14-13-18-23(27)29-4)22(28-3)17-12-9-8-11-15-20(25)6-2/h6,12,17,20-22,24-26H,2,5,7,10,13-14,16,18-19H2,1,3-4H3/b17-12+ |
| SMILES | C=CC(O)C#CC#C/C=C/C(OC)C(OCCCCC(=O)OC)C(O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C24H36O6/c1-5-7-10-16-21(26)24(30-19-14-13-18-23(27)29-4)22(28-3)17-12-9-8-11-15-20(25)6-2/h6,12,17,20-22,24-26H,2,5,7,10,13-14,16,18-19H2,1,3-4H3/b17-12+/t20?,21?,22?,24? |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:10][CH2:16][CH:21]([CH:24]([CH:22](/[CH:17]=[CH:12]/[C:9]#[C:8][C:11]#[C:15][CH:20]([CH:6]=[CH2:2])[OH:25])[O:28][CH3:3])[O:30][CH2:19][CH2:14][CH2:13][CH2:18][C:23](=[O:27])[O:29][CH3:4])[OH:26] |
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