| Properties | Image |
|---|
| MNX_ID | MNXM160716 |
 |
| reference | chebi:76192 |
| formula | C28H22O6 |
| global charge | 0 |
| mol weight | 454.478 |
| InChIKey | BIQMSWPBPAKGSE-PBSLAQMISA-N |
| InChI | InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(16-3-7-19(30)8-4-16)26(23)17-10-20(31)12-21(32)11-17/h1-14,26-27,29-34H/b23-9-/t26-,27+/m1/s1 |
| SMILES | OC1=CC=C(/C=C2/C3=CC(O)=CC(O)=C3[C@@H](C3=CC=C(O)C=C3)[C@@H]2C2=CC(O)=CC(O)=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(16-3-7-19(30)8-4-16)26(23)17-10-20(31)12-21(32)11-17/h1-14,26-27,29-34H/b23-9-/t26-,27+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:5][C:18]([OH:29])=[CH:6][CH:2]=[C:15]1/[CH:9]=[C:23]1/[C:24]2=[C:28]([C:25]([OH:34])=[CH:14][C:22]([OH:33])=[CH:13]2)[C@@H:27]([C:16]2=[CH:4][CH:8]=[C:19]([OH:30])[CH:7]=[CH:3]2)[C@@H:26]1[C:17]1=[CH:10][C:20]([OH:31])=[CH:12][C:21]([OH:32])=[CH:11]1 |
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