| Properties | Image |
MNX_ID | MNXM102844 |
 |
reference | chebi:65441 |
formula | C26H26O6 |
global charge | 0 |
mol weight | 434.488 |
InChIKey | KULOJVAPXYSRNQ-SOFGYWHQSA-N |
InChI | InChI=1S/C26H26O6/c1-13(2)6-8-16-20(30-5)12-22-23(24(16)28)25(29)18-11-19(14(3)4)31-21-10-15(27)7-9-17(21)26(18)32-22/h6-10,12-13,19,27-28H,3,11H2,1-2,4-5H3/b8-6+ |
SMILES | C=C(C)C1CC2=C(OC3=CC(OC)=C(/C=C/C(C)C)C(O)=C3C2=O)C2=C(C=C(O)C=C2)O1 |
MNX internals
InChI (mnx) | InChI=1/C26H26O6/c1-13(2)6-8-16-20(30-5)12-22-23(24(16)28)25(29)18-11-19(14(3)4)31-21-10-15(27)7-9-17(21)26(18)32-22/h6-10,12-13,19,27-28H,3,11H2,1-2,4-5H3/b8-6+/t19? |
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SMILES (mnx) | [CH3:1][CH:13]([CH3:2])/[CH:6]=[CH:8]/[C:16]1=[C:20]([O:30][CH3:5])[CH:12]=[C:22]2[C:23](=[C:24]1[OH:28])[C:25](=[O:29])[C:18]1=[C:26]([C:17]3=[C:21]([CH:10]=[C:15]([OH:27])[CH:7]=[CH:9]3)[O:31][CH:19]([C:14](=[CH2:3])[CH3:4])[CH2:11]1)[O:32]2 |
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