| Properties | Image |
|---|
| MNX_ID | MNXM149393 |
 |
| reference | chebi:76149 |
| formula | C28H22O5 |
| global charge | 0 |
| mol weight | 438.479 |
| InChIKey | ZSHRTKKUYWAUMB-WMFQWFPSSA-N |
| InChI | InChI=1S/C28H22O5/c29-21-8-3-17(4-9-21)1-2-18-5-12-26-25(13-18)27(20-14-23(31)16-24(32)15-20)28(33-26)19-6-10-22(30)11-7-19/h1-16,27-32H/b2-1-/t27-,28+/m0/s1 |
| SMILES | OC1=CC=C(/C=C\C2=CC=C3O[C@H](C4=CC=C(O)C=C4)[C@@H](C4=CC(O)=CC(O)=C4)C3=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H22O5/c29-21-8-3-17(4-9-21)1-2-18-5-12-26-25(13-18)27(20-14-23(31)16-24(32)15-20)28(33-26)19-6-10-22(30)11-7-19/h1-16,27-32H/b2-1-/t27-,28+/m0/s1 |
 |
| SMILES (mnx) | [CH:1](=[CH:2]\[C:18]1=[CH:13][C:25]2=[C:26]([CH:12]=[CH:5]1)[O:33][C@H:28]([C:19]1=[CH:7][CH:11]=[C:22]([OH:30])[CH:10]=[CH:6]1)[C@H:27]2[C:20]1=[CH:14][C:23]([OH:31])=[CH:16][C:24]([OH:32])=[CH:15]1)\[C:17]1=[CH:4][CH:9]=[C:21]([OH:29])[CH:8]=[CH:3]1 |
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