| Properties | Image |
|---|
| MNX_ID | MNXM1173577 |
 |
| reference | envipathM:...394d7799a94c |
| formula | C23H35O9 |
| global charge | -1 |
| mol weight | 455.524 |
| InChIKey | YSVQRKKGTSVIAW-UHFFFAOYSA-M |
| InChI | InChI=1S/C23H36O9/c1-19-5-3-13(25)9-22(19,31)17(27)10-21(30)15(19)8-16(26)20(2)14(4-6-23(20,21)32)12(11-24)7-18(28)29/h7,13-17,24-27,30-32H,3-6,8-11H2,1-2H3,(H,28,29)/p-1 |
| SMILES | CC12CCC(O)CC1(O)C(O)CC1(O)C2CC(O)C2(C)C(C(=CC(=O)[O-])CO)CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C23H36O9/c1-19-5-3-13(25)9-22(19,31)17(27)10-21(30)15(19)8-16(26)20(2)14(4-6-23(20,21)32)12(11-24)7-18(28)29/h7,13-17,24-27,30-32H,3-6,8-11H2,1-2H3,(H,28,29)/b12-7?/t13?,14?,15?,16?,17?,19?,20?,21?,22?,23? |
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| SMILES (mnx) | [CH3:1][C:19]12[CH2:5][CH2:3][CH:13]([OH:25])[CH2:9][C:22]1([OH:31])[CH:17]([OH:27])[CH2:10][C:21]1([OH:30])[CH:15]2[CH2:8][CH:16]([OH:26])[C:20]2([CH3:2])[CH:14]([C:12](=[CH:7][C:18](=[O:28])[OH:29])[CH2:11][OH:24])[CH2:4][CH2:6][C:23]21[OH:32] |
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