| Properties | Image |
|---|
| MNX_ID | MNXM62164 |
 |
| reference | chebi:6937 |
| formula | C22H18O6 |
| global charge | 0 |
| mol weight | 378.38 |
| InChIKey | TXNSUHKZCOMFPN-MOPGFXCFSA-N |
| InChI | InChI=1S/C22H18O6/c1-22(2)6-5-11-14(28-22)4-3-12-20(23)19-13-7-16-17(26-10-25-16)8-15(13)24-9-18(19)27-21(11)12/h3-8,18-19H,9-10H2,1-2H3/t18-,19+/m1/s1 |
| SMILES | CC1(C)C=CC2=C(C=CC3=C2O[C@@H]2COC4=C(C=C5OCOC5=C4)[C@@H]2C3=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C22H18O6/c1-22(2)6-5-11-14(28-22)4-3-12-20(23)19-13-7-16-17(26-10-25-16)8-15(13)24-9-18(19)27-21(11)12/h3-8,18-19H,9-10H2,1-2H3/t18-,19+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:22]1([CH3:2])[CH:6]=[CH:5][C:11]2=[C:14]([CH:4]=[CH:3][C:12]3=[C:21]2[O:27][C@@H:18]2[CH2:9][O:24][C:15]4=[CH:8][C:17]5=[C:16]([CH:7]=[C:13]4[C@@H:19]2[C:20]3=[O:23])[O:25][CH2:10][O:26]5)[O:28]1 |
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