| Properties | Image |
|---|
| MNX_ID | MNXM106132 |
 |
| reference | chebi:66609 |
| formula | C26H30O5 |
| global charge | 0 |
| mol weight | 422.521 |
| InChIKey | XCHYGHACCAXWJR-NRFANRHFSA-N |
| InChI | InChI=1S/C26H30O5/c1-15(2)6-8-18-22(27)12-10-17(25(18)30-5)21-14-31-26-19(9-7-16(3)4)23(28)13-11-20(26)24(21)29/h6-7,10-13,21,27-28H,8-9,14H2,1-5H3/t21-/m0/s1 |
| SMILES | COC1=C(CC=C(C)C)C(O)=CC=C1[C@@H]1COC2=C(C=CC(O)=C2CC=C(C)C)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C26H30O5/c1-15(2)6-8-18-22(27)12-10-17(25(18)30-5)21-14-31-26-19(9-7-16(3)4)23(28)13-11-20(26)24(21)29/h6-7,10-13,21,27-28H,8-9,14H2,1-5H3/t21-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:15]([CH3:2])=[CH:6][CH2:8][C:18]1=[C:22]([OH:27])[CH:12]=[CH:10][C:17]([C@@H:21]2[CH2:14][O:31][C:26]3=[C:20]([CH:11]=[CH:13][C:23]([OH:28])=[C:19]3[CH2:9][CH:7]=[C:16]([CH3:3])[CH3:4])[C:24]2=[O:29])=[C:25]1[O:30][CH3:5] |
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