| Properties | Image |
|---|
| MNX_ID | MNXM1170207 |
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| reference | envipathM:...f27d5c69a65d |
| formula | C22H32O7 |
| global charge | -2 |
| mol weight | 408.491 |
| InChIKey | BCPDHDKJWPCJJD-UHFFFAOYSA-L |
| InChI | InChI=1S/C22H34O7/c1-16(22(29,21(27)28)19(24)20(25)26)10-8-6-4-2-3-5-7-9-11-17-12-14-18(23)15-13-17/h12-16,19,23-24,29H,2-11H2,1H3,(H,25,26)(H,27,28)/p-2 |
| SMILES | CC(CCCCCCCCCCC1=CC=C(O)C=C1)C(O)(C(=O)[O-])C(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C22H34O7/c1-16(22(29,21(27)28)19(24)20(25)26)10-8-6-4-2-3-5-7-9-11-17-12-14-18(23)15-13-17/h12-16,19,23-24,29H,2-11H2,1H3,(H,25,26)(H,27,28)/t16?,19?,22? |
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| SMILES (mnx) | [CH3:1][CH:16]([CH2:10][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][C:17]1=[CH:13][CH:15]=[C:18]([OH:23])[CH:14]=[CH:12]1)[C:22]([CH:19]([C:20](=[O:25])[OH:26])[OH:24])([C:21](=[O:27])[OH:28])[OH:29] |
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