| Properties | Image |
|---|
| MNX_ID | MNXM105062 |
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| reference | chebi:65891 |
| formula | C25H28O6 |
| global charge | 0 |
| mol weight | 424.493 |
| InChIKey | FPUREMWTZVLZBZ-QRQCRPRQSA-N |
| InChI | InChI=1S/C25H28O6/c1-13(2)8-9-15(14(3)4)10-16-19(28)11-20(29)24-21(30)12-22(31-25(16)24)23-17(26)6-5-7-18(23)27/h5-8,11,15,22,26-29H,3,9-10,12H2,1-2,4H3/t15-,22+/m1/s1 |
| SMILES | C=C(C)[C@H](CC=C(C)C)CC1=C(O)C=C(O)C2=C1O[C@H](C1=C(O)C=CC=C1O)CC2=O |
MNX internals
| InChI (mnx) | InChI=1/C25H28O6/c1-13(2)8-9-15(14(3)4)10-16-19(28)11-20(29)24-21(30)12-22(31-25(16)24)23-17(26)6-5-7-18(23)27/h5-8,11,15,22,26-29H,3,9-10,12H2,1-2,4H3/t15-,22+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:13]([CH3:2])=[CH:8][CH2:9][C@H:15]([CH2:10][C:16]1=[C:25]2[C:24](=[C:20]([OH:29])[CH:11]=[C:19]1[OH:28])[C:21](=[O:30])[CH2:12][C@@H:22]([C:23]1=[C:17]([OH:26])[CH:6]=[CH:5][CH:7]=[C:18]1[OH:27])[O:31]2)[C:14](=[CH2:3])[CH3:4] |
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