| Properties | Image |
|---|
| MNX_ID | MNXM166710 |
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| reference | biggM:CE6420 |
| formula | C22H31O4 |
| global charge | -1 |
| mol weight | 359.486 |
| InChIKey | JYWFAQGZPPWWNO-VCQSLHRMSA-M |
| InChI | InChI=1S/C22H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21(26-25)19-16-13-14-17-20-22(23)24/h3-4,6-7,10-15,19,25H,2,5,8-9,16-18,20H2,1H3,(H,23,24)/p-1/b4-3+,7-6+,11-10+,14-13+,15-12+,21-19- |
| SMILES | CC/C=C/C/C=C/CC/C=C/C=C/C/C(=C/C/C=C/CCC(=O)[O-])OO |
MNX internals
| InChI (mnx) | InChI=1/C22H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21(26-25)19-16-13-14-17-20-22(23)24/h3-4,6-7,10-15,19,25H,2,5,8-9,16-18,20H2,1H3,(H,23,24)/b4-3+,7-6+,11-10+,14-13+,15-12+,21-19- |
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| SMILES (mnx) | [CH3:1][CH2:2]/[CH:3]=[CH:4]/[CH2:5]/[CH:6]=[CH:7]/[CH2:8][CH2:9]/[CH:10]=[CH:11]/[CH:12]=[CH:15]/[CH2:18]/[C:21](=[CH:19]/[CH2:16]/[CH:13]=[CH:14]/[CH2:17][CH2:20][C:22](=[O:23])[OH:24])[O:26][OH:25] |
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