| Properties | Image |
MNX_ID | MNXM118459 |
 |
reference | chebi:72440 |
formula | C24H18O7 |
global charge | 0 |
mol weight | 418.401 |
InChIKey | PUGOKYOQJONOGJ-UHFFFAOYSA-N |
InChI | InChI=1S/C24H18O7/c1-2-29-24(28)17-6-4-3-5-16(17)23-18-9-7-14(25)11-20(18)31-21-12-15(8-10-19(21)23)30-13-22(26)27/h3-12H,2,13H2,1H3,(H,26,27) |
SMILES | CCOC(=O)C1=CC=CC=C1C1=C2C=CC(=O)C=C2OC2=CC(OCC(=O)O)=CC=C21 |
MNX internals
InChI (mnx) | InChI=1/C24H18O7/c1-2-29-24(28)17-6-4-3-5-16(17)23-18-9-7-14(25)11-20(18)31-21-12-15(8-10-19(21)23)30-13-22(26)27/h3-12H,2,13H2,1H3,(H,26,27) |
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SMILES (mnx) | [CH3:1][CH2:2][O:29][C:24]([C:17]1=[CH:6][CH:4]=[CH:3][CH:5]=[C:16]1[C:23]1=[C:18]2[CH:9]=[CH:7][C:14](=[O:25])[CH:11]=[C:20]2[O:31][C:21]2=[CH:12][C:15]([O:30][CH2:13][C:22](=[O:26])[OH:27])=[CH:8][CH:10]=[C:19]21)=[O:28] |
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