| Properties | Image |
|---|
| MNX_ID | MNXM1170191 |
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| reference | envipathM:...2fdd57db8a8b |
| formula | C23H31O8 |
| global charge | -1 |
| mol weight | 435.493 |
| InChIKey | YLEXFFWHIQQUEA-UHFFFAOYSA-M |
| InChI | InChI=1S/C23H32O8/c1-20-16-9-18(27)21(2)14(12(11-24)7-19(28)29)4-6-23(21,31)15(16)3-5-22(20,30)10-13(25)8-17(20)26/h7,14-16,18,24,27,30-31H,3-6,8-11H2,1-2H3,(H,28,29)/p-1 |
| SMILES | CC12C(=O)CC(=O)CC1(O)CCC1C2CC(O)C2(C)C(C(=CC(=O)[O-])CO)CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C23H32O8/c1-20-16-9-18(27)21(2)14(12(11-24)7-19(28)29)4-6-23(21,31)15(16)3-5-22(20,30)10-13(25)8-17(20)26/h7,14-16,18,24,27,30-31H,3-6,8-11H2,1-2H3,(H,28,29)/b12-7?/t14?,15?,16?,18?,20?,21?,22?,23? |
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| SMILES (mnx) | [CH3:1][C:20]12[CH:16]3[CH2:9][CH:18]([OH:27])[C:21]4([CH3:2])[CH:14]([C:12](=[CH:7][C:19](=[O:28])[OH:29])[CH2:11][OH:24])[CH2:4][CH2:6][C:23]4([OH:31])[CH:15]3[CH2:3][CH2:5][C:22]1([OH:30])[CH2:10][C:13](=[O:25])[CH2:8][C:17]2=[O:26] |
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