| Properties | Image |
|---|
| MNX_ID | MNXM1185201 |
 |
| reference | envipathM:...bcbd2ac3d7c9 |
| formula | C23H35O8 |
| global charge | -1 |
| mol weight | 439.525 |
| InChIKey | LPUZUPMXEUDGBT-UHFFFAOYSA-M |
| InChI | InChI=1S/C23H36O8/c1-21-12(6-13(25)8-17(21)27)7-16(26)20-15(21)9-18(28)22(2)14(3-4-23(20,22)31)11(10-24)5-19(29)30/h5,12-18,20,24-28,31H,3-4,6-10H2,1-2H3,(H,29,30)/p-1 |
| SMILES | CC12C(O)CC(O)CC1CC(O)C1C2CC(O)C2(C)C(C(=CC(=O)[O-])CO)CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C23H36O8/c1-21-12(6-13(25)8-17(21)27)7-16(26)20-15(21)9-18(28)22(2)14(3-4-23(20,22)31)11(10-24)5-19(29)30/h5,12-18,20,24-28,31H,3-4,6-10H2,1-2H3,(H,29,30)/b11-5?/t12?,13?,14?,15?,16?,17?,18?,20?,21?,22?,23? |
 |
| SMILES (mnx) | [CH3:1][C:21]12[CH:12]([CH2:6][CH:13]([OH:25])[CH2:8][CH:17]1[OH:27])[CH2:7][CH:16]([OH:26])[CH:20]1[CH:15]2[CH2:9][CH:18]([OH:28])[C:22]2([CH3:2])[CH:14]([C:11](=[CH:5][C:19](=[O:29])[OH:30])[CH2:10][OH:24])[CH2:3][CH2:4][C:23]12[OH:31] |
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