| Properties | Image |
|---|
| MNX_ID | MNXM1176403 |
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| reference | envipathM:...37619b050dc2 |
| formula | C23H35O9 |
| global charge | -1 |
| mol weight | 455.524 |
| InChIKey | XUGUWWHVIWUAGF-UHFFFAOYSA-M |
| InChI | InChI=1S/C23H36O9/c1-19-12(7-13(25)8-16(19)26)3-4-14-15(19)9-17(27)20(2)22(14,31)5-6-23(20,32)21(30,11-24)10-18(28)29/h12,14-17,24,26-27,30-32H,3-11H2,1-2H3,(H,28,29)/p-1 |
| SMILES | CC12C(O)CC(=O)CC1CCC1C2CC(O)C2(C)C1(O)CCC2(O)C(O)(CO)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C23H36O9/c1-19-12(7-13(25)8-16(19)26)3-4-14-15(19)9-17(27)20(2)22(14,31)5-6-23(20,32)21(30,11-24)10-18(28)29/h12,14-17,24,26-27,30-32H,3-11H2,1-2H3,(H,28,29)/t12?,14?,15?,16?,17?,19?,20?,21?,22?,23? |
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| SMILES (mnx) | [CH3:1][C:19]12[CH:12]([CH2:3][CH2:4][CH:14]3[CH:15]1[CH2:9][CH:17]([OH:27])[C:20]1([CH3:2])[C:22]3([OH:31])[CH2:5][CH2:6][C:23]1([C:21]([CH2:10][C:18](=[O:28])[OH:29])([CH2:11][OH:24])[OH:30])[OH:32])[CH2:7][C:13](=[O:25])[CH2:8][CH:16]2[OH:26] |
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