| Properties | Image |
|---|
| MNX_ID | MNXM1368530 |
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| reference | biggM:CE6508 |
| formula | C20H29O4 |
| global charge | -1 |
| mol weight | 333.448 |
| InChIKey | NKXYOIJDQPQELO-UHFFFAOYSA-M |
| InChI | InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h3-4,6-7,9-10,12-14,16,19,23H,2,5,8,11,15,17-18H2,1H3,(H,21,22)/p-1 |
| SMILES | CCC=CCC=CCC=CCC=CC=CC(CCCC(=O)[O-])OO |
MNX internals
| InChI (mnx) | InChI=1/C20H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h3-4,6-7,9-10,12-14,16,19,23H,2,5,8,11,15,17-18H2,1H3,(H,21,22)/b4-3?,7-6?,10-9?,13-12?,16-14?/t19? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH:3]=[CH:4][CH2:5][CH:6]=[CH:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH:14]=[CH:16][CH:19]([CH2:17][CH2:15][CH2:18][C:20](=[O:21])[OH:22])[O:24][OH:23] |
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