| Properties | Image |
|---|
| MNX_ID | MNXM109162 |
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| reference | chebi:66191 |
| formula | C25H28O7 |
| global charge | 0 |
| mol weight | 440.492 |
| InChIKey | VALTWXVTFHGVHS-ILVSVAAVSA-N |
| InChI | InChI=1S/C25H28O7/c1-13(2)17(26)8-5-14(3)4-7-16-19(28)11-23-24(25(16)31)21(30)12-22(32-23)15-6-9-18(27)20(29)10-15/h4,6,9-11,17,22,26-29,31H,1,5,7-8,12H2,2-3H3/b14-4+/t17?,22-/m0/s1 |
| SMILES | C=C(C)C(O)CC/C(C)=C/CC1=C(O)C2=C(C=C1O)O[C@H](C1=CC(O)=C(O)C=C1)CC2=O |
MNX internals
| InChI (mnx) | InChI=1/C25H28O7/c1-13(2)17(26)8-5-14(3)4-7-16-19(28)11-23-24(25(16)31)21(30)12-22(32-23)15-6-9-18(27)20(29)10-15/h4,6,9-11,17,22,26-29,31H,1,5,7-8,12H2,2-3H3/b14-4+/t17?,22-/m0/s1 |
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| SMILES (mnx) | [CH2:1]=[C:13]([CH3:2])[CH:17]([CH2:8][CH2:5]/[C:14]([CH3:3])=[CH:4]/[CH2:7][C:16]1=[C:25]([OH:31])[C:24]2=[C:23]([CH:11]=[C:19]1[OH:28])[O:32][C@H:22]([C:15]1=[CH:10][C:20]([OH:29])=[C:18]([OH:27])[CH:9]=[CH:6]1)[CH2:12][C:21]2=[O:30])[OH:26] |
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