| Properties | Image |
|---|
| MNX_ID | MNXM149241 |
 |
| reference | chebi:76137 |
| formula | C28H22O6 |
| global charge | 0 |
| mol weight | 454.478 |
| InChIKey | FQWLMRXWKZGLFI-BQYFGGCBSA-N |
| InChI | InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m0/s1 |
| SMILES | OC1=CC=C(/C=C/C2=CC(O)=CC3=C2[C@H](C2=CC(O)=CC(O)=C2)[C@@H](C2=CC=C(O)C=C2)O3)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m0/s1 |
 |
| SMILES (mnx) | [CH:1](=[CH:4]/[C:18]1=[CH:11][C:24]([OH:33])=[CH:15][C:25]2=[C:26]1[C@H:27]([C:19]1=[CH:12][C:22]([OH:31])=[CH:14][C:23]([OH:32])=[CH:13]1)[C@@H:28]([C:17]1=[CH:6][CH:10]=[C:21]([OH:30])[CH:9]=[CH:5]1)[O:34]2)\[C:16]1=[CH:3][CH:8]=[C:20]([OH:29])[CH:7]=[CH:2]1 |
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