| Properties | Image |
MNX_ID | MNXM116773 |
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reference | hmdb:HMDB0041462 |
formula | C20H14O3 |
global charge | 0 |
mol weight | 302.329 |
InChIKey | PVZKBQMWQRUUFI-UHFFFAOYSA-N |
InChI | InChI=1S/C20H14O3/c1-23-14-8-5-12(6-9-14)15-10-7-13-3-2-4-16-19(13)17(15)11-18(21)20(16)22/h2-11,21H,1H3 |
SMILES | COC1=CC=C(C2=CC=C3C=CC=C4C(=O)C(O)=CC2=C34)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C20H14O3/c1-23-14-8-5-12(6-9-14)15-10-7-13-3-2-4-16-19(13)17(15)11-18(21)20(16)22/h2-11,21H,1H3 |
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SMILES (mnx) | [CH3:1][O:23][C:14]1=[CH:9][CH:6]=[C:12]([C:15]2=[CH:10][CH:7]=[C:13]3[CH:3]=[CH:2][CH:4]=[C:16]4[C:19]3=[C:17]2[CH:11]=[C:18]([OH:21])[C:20]4=[O:22])[CH:5]=[CH:8]1 |
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