| Properties | Image |
|---|
| MNX_ID | MNXM105063 |
 |
| reference | chebi:65892 |
| formula | C26H30O6 |
| global charge | 0 |
| mol weight | 438.52 |
| InChIKey | COKUCRXLRIRZQM-MWTRTKDXSA-N |
| InChI | InChI=1S/C26H30O6/c1-14(2)9-10-16(15(3)4)11-17-22(31-5)12-20(29)25-21(30)13-23(32-26(17)25)24-18(27)7-6-8-19(24)28/h6-9,12,16,23,27-29H,3,10-11,13H2,1-2,4-5H3/t16-,23+/m1/s1 |
| SMILES | C=C(C)[C@H](CC=C(C)C)CC1=C(OC)C=C(O)C2=C1O[C@H](C1=C(O)C=CC=C1O)CC2=O |
MNX internals
| InChI (mnx) | InChI=1/C26H30O6/c1-14(2)9-10-16(15(3)4)11-17-22(31-5)12-20(29)25-21(30)13-23(32-26(17)25)24-18(27)7-6-8-19(24)28/h6-9,12,16,23,27-29H,3,10-11,13H2,1-2,4-5H3/t16-,23+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14]([CH3:2])=[CH:9][CH2:10][C@H:16]([CH2:11][C:17]1=[C:22]([O:31][CH3:5])[CH:12]=[C:20]([OH:29])[C:25]2=[C:26]1[O:32][C@H:23]([C:24]1=[C:18]([OH:27])[CH:7]=[CH:6][CH:8]=[C:19]1[OH:28])[CH2:13][C:21]2=[O:30])[C:15](=[CH2:3])[CH3:4] |
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