| Properties | Image |
|---|
| MNX_ID | MNXM101153 |
 |
| reference | chebi:70023 |
| formula | C25H28O5 |
| global charge | 0 |
| mol weight | 408.494 |
| InChIKey | GOAUTULGLLBZSR-YLLUOSTHSA-N |
| InChI | InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-21(28)24-22(29)14-23(30-25(19)24)17-8-10-18(26)11-9-17/h5,7-11,13,23,26-28H,4,6,12,14H2,1-3H3/b16-7+/t23-/m0/s1 |
| SMILES | CC(C)=CCC/C(C)=C/CC1=C(O)C=C(O)C2=C1O[C@H](C1=CC=C(O)C=C1)CC2=O |
MNX internals
| InChI (mnx) | InChI=1/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-21(28)24-22(29)14-23(30-25(19)24)17-8-10-18(26)11-9-17/h5,7-11,13,23,26-28H,4,6,12,14H2,1-3H3/b16-7+/t23-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:15]([CH3:2])=[CH:5][CH2:4][CH2:6]/[C:16]([CH3:3])=[CH:7]/[CH2:12][C:19]1=[C:25]2[C:24](=[C:21]([OH:28])[CH:13]=[C:20]1[OH:27])[C:22](=[O:29])[CH2:14][C@@H:23]([C:17]1=[CH:9][CH:11]=[C:18]([OH:26])[CH:10]=[CH:8]1)[O:30]2 |
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