| Properties | Image |
|---|
| MNX_ID | MNXM1180991 |
 |
| reference | envipathM:...736244e98a33 |
| formula | C22H37O7 |
| global charge | -3 |
| mol weight | 413.531 |
| InChIKey | PKCALQHYXHDFAQ-UHFFFAOYSA-K |
| InChI | InChI=1S/C22H40O7/c1-17(18(21(26)27)16-20(24)25)14-12-10-8-6-4-2-3-5-7-9-11-13-15-19(23)22(28)29/h17-19,23H,2-16H2,1H3,(H,24,25)(H,26,27)(H,28,29)/p-3 |
| SMILES | CC(CCCCCCCCCCCCCCC(O)C(=O)[O-])C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C22H40O7/c1-17(18(21(26)27)16-20(24)25)14-12-10-8-6-4-2-3-5-7-9-11-13-15-19(23)22(28)29/h17-19,23H,2-16H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t17?,18?,19? |
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| SMILES (mnx) | [CH3:1][CH:17]([CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH:19]([C:22](=[O:28])[OH:29])[OH:23])[CH:18]([CH2:16][C:20](=[O:24])[OH:25])[C:21](=[O:26])[OH:27] |
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