| Properties | Image |
|---|
| MNX_ID | MNXM1195411 |
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| reference | envipathM:...e2f9e07d4537 |
| formula | C23H33O9 |
| global charge | -1 |
| mol weight | 453.508 |
| InChIKey | PIIQQMVINCVREP-UHFFFAOYSA-M |
| InChI | InChI=1S/C23H34O9/c1-19-14(12(11-24)7-18(28)29)3-4-23(19,32)22(31)6-5-21(30)10-13(25)8-16(26)20(21,2)15(22)9-17(19)27/h7,14-17,24,26-27,30-32H,3-6,8-11H2,1-2H3,(H,28,29)/p-1 |
| SMILES | CC12C(O)CC(=O)CC1(O)CCC1(O)C2CC(O)C2(C)C(C(=CC(=O)[O-])CO)CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C23H34O9/c1-19-14(12(11-24)7-18(28)29)3-4-23(19,32)22(31)6-5-21(30)10-13(25)8-16(26)20(21,2)15(22)9-17(19)27/h7,14-17,24,26-27,30-32H,3-6,8-11H2,1-2H3,(H,28,29)/b12-7?/t14?,15?,16?,17?,19?,20?,21?,22?,23? |
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| SMILES (mnx) | [CH3:1][C:19]12[CH:14]([C:12](=[CH:7][C:18](=[O:28])[OH:29])[CH2:11][OH:24])[CH2:3][CH2:4][C:23]1([OH:32])[C:22]1([OH:31])[CH2:6][CH2:5][C:21]3([OH:30])[CH2:10][C:13](=[O:25])[CH2:8][CH:16]([OH:26])[C:20]3([CH3:2])[CH:15]1[CH2:9][CH:17]2[OH:27] |
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