| Properties | Image |
|---|
| MNX_ID | MNXM1190854 |
 |
| reference | envipathM:...91f5080f5cf5 |
| formula | C23H33O8 |
| global charge | -1 |
| mol weight | 437.509 |
| InChIKey | CABPDKOIVGYDBS-UHFFFAOYSA-M |
| InChI | InChI=1S/C23H34O8/c1-20-7-8-31-19(28)11-22(20,29)5-3-15-16(20)10-17(25)21(2)14(4-6-23(15,21)30)13(12-24)9-18(26)27/h9,14-17,24-25,29-30H,3-8,10-12H2,1-2H3,(H,26,27)/p-1 |
| SMILES | CC12CCOC(=O)CC1(O)CCC1C2CC(O)C2(C)C(C(=CC(=O)[O-])CO)CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C23H34O8/c1-20-7-8-31-19(28)11-22(20,29)5-3-15-16(20)10-17(25)21(2)14(4-6-23(15,21)30)13(12-24)9-18(26)27/h9,14-17,24-25,29-30H,3-8,10-12H2,1-2H3,(H,26,27)/b13-9?/t14?,15?,16?,17?,20?,21?,22?,23? |
 |
| SMILES (mnx) | [CH3:1][C:20]12[CH2:7][CH2:8][O:31][C:19](=[O:28])[CH2:11][C:22]1([OH:29])[CH2:5][CH2:3][CH:15]1[CH:16]2[CH2:10][CH:17]([OH:25])[C:21]2([CH3:2])[CH:14]([C:13](=[CH:9][C:18](=[O:26])[OH:27])[CH2:12][OH:24])[CH2:4][CH2:6][C:23]12[OH:30] |
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