| Properties | Image |
|---|
| MNX_ID | MNXM105810 |
 |
| reference | chebi:69679 |
| formula | C22H18O5 |
| global charge | 0 |
| mol weight | 362.381 |
| InChIKey | KSBALECVCJXYHU-IBGZPJMESA-N |
| InChI | InChI=1S/C22H18O5/c23-16-9-5-4-8-14(16)10-15-17(24)11-20-21(22(15)26)18(25)12-19(27-20)13-6-2-1-3-7-13/h1-9,11,19,23-24,26H,10,12H2/t19-/m0/s1 |
| SMILES | O=C1C[C@@H](C2=CC=CC=C2)OC2=CC(O)=C(CC3=CC=CC=C3O)C(O)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C22H18O5/c23-16-9-5-4-8-14(16)10-15-17(24)11-20-21(22(15)26)18(25)12-19(27-20)13-6-2-1-3-7-13/h1-9,11,19,23-24,26H,10,12H2/t19-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:13]([C@@H:19]2[CH2:12][C:18](=[O:25])[C:21]3=[C:20]([CH:11]=[C:17]([OH:24])[C:15]([CH2:10][C:14]4=[CH:8][CH:4]=[CH:5][CH:9]=[C:16]4[OH:23])=[C:22]3[OH:26])[O:27]2)[CH:7]=[CH:3]1 |
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