| Properties | Image |
MNX_ID | MNXM45291 |
 |
reference | chebi:185821 |
formula | C24H20O6 |
global charge | 0 |
mol weight | 404.418 |
InChIKey | LEHQNGMIHPACJG-UHFFFAOYSA-N |
InChI | InChI=1S/C24H20O6/c25-16-9-7-15(8-10-16)17-12-21(29)30-24-22(17)19(27)13-20(28)23(24)18(26)11-6-14-4-2-1-3-5-14/h1-5,7-10,13,17,25,27-28H,6,11-12H2 |
SMILES | O=C1CC(C2=CC=C(O)C=C2)C2=C(O1)C(C(=O)CCC1=CC=CC=C1)=C(O)C=C2O |
MNX internals
InChI (mnx) | InChI=1/C24H20O6/c25-16-9-7-15(8-10-16)17-12-21(29)30-24-22(17)19(27)13-20(28)23(24)18(26)11-6-14-4-2-1-3-5-14/h1-5,7-10,13,17,25,27-28H,6,11-12H2/t17? |
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SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:14]([CH2:6][CH2:11][C:18]([C:23]2=[C:20]([OH:28])[CH:13]=[C:19]([OH:27])[C:22]3=[C:24]2[O:30][C:21](=[O:29])[CH2:12][CH:17]3[C:15]2=[CH:8][CH:10]=[C:16]([OH:25])[CH:9]=[CH:7]2)=[O:26])[CH:5]=[CH:3]1 |
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