| Properties | Image |
|---|
| MNX_ID | MNXM108975 |
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| reference | chebi:66513 |
| formula | C25H28O6 |
| global charge | 0 |
| mol weight | 424.493 |
| InChIKey | SXRPAWKWQUYIOI-UHFFFAOYSA-N |
| InChI | InChI=1S/C25H28O6/c1-14(2)5-7-18-22(30-10-9-15(3)4)12-20(28)24-21(29)13-23(31-25(18)24)17-8-6-16(26)11-19(17)27/h5-6,8-9,11-12,23,26-28H,7,10,13H2,1-4H3 |
| SMILES | CC(C)=CCOC1=C(CC=C(C)C)C2=C(C(=O)CC(C3=C(O)C=C(O)C=C3)O2)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H28O6/c1-14(2)5-7-18-22(30-10-9-15(3)4)12-20(28)24-21(29)13-23(31-25(18)24)17-8-6-16(26)11-19(17)27/h5-6,8-9,11-12,23,26-28H,7,10,13H2,1-4H3/t23? |
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| SMILES (mnx) | [CH3:1][C:14]([CH3:2])=[CH:5][CH2:7][C:18]1=[C:22]([O:30][CH2:10][CH:9]=[C:15]([CH3:3])[CH3:4])[CH:12]=[C:20]([OH:28])[C:24]2=[C:25]1[O:31][CH:23]([C:17]1=[C:19]([OH:27])[CH:11]=[C:16]([OH:26])[CH:6]=[CH:8]1)[CH2:13][C:21]2=[O:29] |
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