| Properties | Image |
|---|
| MNX_ID | MNXM164067 |
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| reference | biggM:CE6435 |
| formula | C22H31O4 |
| global charge | -1 |
| mol weight | 359.486 |
| InChIKey | BNHQALRBDJVUQB-NGJSVXFXSA-M |
| InChI | InChI=1S/C22H32O4/c1-2-3-15-18-21(26-25)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(23)24/h3,5-8,11-16,19,21,25H,2,4,9-10,17-18,20H2,1H3,(H,23,24)/p-1/b7-5+,8-6+,13-11+,14-12+,15-3+,19-16+ |
| SMILES | CC/C=C/CC(/C=C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)[O-])OO |
MNX internals
| InChI (mnx) | InChI=1/C22H32O4/c1-2-3-15-18-21(26-25)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(23)24/h3,5-8,11-16,19,21,25H,2,4,9-10,17-18,20H2,1H3,(H,23,24)/b7-5+,8-6+,13-11+,14-12+,15-3+,19-16+/t21? |
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| SMILES (mnx) | [CH3:1][CH2:2]/[CH:3]=[CH:15]/[CH2:18][CH:21](/[CH:19]=[CH:16]/[CH:13]=[CH:11]/[CH2:9]/[CH:7]=[CH:5]/[CH2:4]/[CH:6]=[CH:8]/[CH2:10]/[CH:12]=[CH:14]/[CH2:17][CH2:20][C:22](=[O:23])[OH:24])[O:26][OH:25] |
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