| C_ID | CAS ID | Metabolite | Molecular formula | Mw | Organism or InChIKey etc. |
|---|---|---|---|---|---|
| C00002691 | 519-40-4 | Aspidinol | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-4-5-8(13)11-9(14)6-10(16-3)7(2)12(11)15/h6,14-15H,4-5H2,1-3H3 |
| C00018883 | 477800-93-4 | 2,3,6-Trimethoxy-5-(1E)-1-propenylphenol | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-5-6-8-7-9(14-2)12(16-4)10(13)11(8)15-3/h5-7,13H,1-4H3/b6-5+ |
| C00024012 | 69199-05-9 | Diplodiol Diplosporin trans-6-Ethyl-5-hydroxy-3-hydroxymethyl-5,6,7,8-tetrahydrochromone (5S,6X)-6-Ethyl-5-hydroxy-3-hydroxymethyl-5,6,7,8-tetrahydrobenzo[b]pyran-4-one | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-2-7-3-4-9-10(11(7)14)12(15)8(5-13)6-16-9/h6-7,11,13-14H,2-5H2,1H3/t7-,11+/m1/s1 |
| C00031770 | 640290-98-8 | Erigerenone A | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-4-5-8-9(6-12(14)16-3)10(13)7-11(8)15-2/h4-5,7-9H,6H2,1-3H3/b5-4-/t8-,9-/m1/s1 |
| C00031772 | 640291-00-5 | Erigerenone C | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-8-4-5-10(15-2)6-9(13)7-11(8)12(14)16-3/h4-6,8,11H,7H2,1-3H3/b5-4-,10-6+/t8-,11+/m0/s1 |
| C00032486 | 1093230-95-5 | Vibralactone B (-)-Vibralactone B | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-7(2)3-4-12-8(15-10(12)14)5-11(6-13)9(12)16-11/h3,8-9,13H,4-6H2,1-2H3/t8-,9-,11+,12+/m0/s1 |
| C00035161 | 94596-28-8 | Senkyunolide I | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h4,8,11,13-14H,2-3,5-6H2,1H3/b9-4-/t8-,11+/m0/s1 |
| C00035486 | 1504-56-9 | 3,4,5-Trimethoxycinnamyl alcohol 3',4',5'-Trimethoxycinnamyl alcohol | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3/h4-5,7-8,13H,6H2,1-3H3/b5-4+ |
| C00040817 | 91555-69-0 | 3-Ethoxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-3-16-7-6-10(13)9-4-5-11(14)12(8-9)15-2/h4-5,8,14H,3,6-7H2,1-2H3 |
| C00043145 | 735327-55-6 | 1,6-Dihydroxy-8-methoxy-3,5-dimethylisochroman | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-6-4-8-7(2)9(13)5-10(15-3)11(8)12(14)16-6/h5-6,12-14H,4H2,1-3H3/t6-,12+/m1/s1 |
| C00045356 | 415945-13-0 | Myxostiol (-)-Myxostiol | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-6-7(2)16-5-9-8(6)4-10(13)12(3,15)11(9)14/h4,9,11,14-15H,5H2,1-3H3/t9-,11-,12+/m1/s1 |
| C00050855 | 3904-18-5 | Isoacoramone | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-5-9(13)8-6-11(15-3)12(16-4)7-10(8)14-2/h6-7H,5H2,1-4H3 |
| C00053608 | 491-72-5 | Olivetolic Acid | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16) |
| C00054766 | 23800-56-8 | Dhelwangin | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-7(2)4-5-9(13)11-10(14)6-8(3)16-12(11)15/h6-7,14H,4-5H2,1-3H3 |
| C00055100 | 2020-90-8 | Acoramone | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-8(13)5-9-6-11(15-3)12(16-4)7-10(9)14-2/h6-7H,5H2,1-4H3 |
| C00056439 | 109361-64-0 | Epidiplosporin | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-2-7-3-4-9-10(11(7)14)12(15)8(5-13)6-16-9/h6-7,11,13-14H,2-5H2,1H3/t7-,11-/m1/s1 |
| C00058073 | 30273-62-2 | 3-(3,4,5-Trimethoxyphenyl)-2-propen-1-ol | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3/h4-5,7-8,13H,6H2,1-3H3/b5-4+ |
| C00062642 | 667429-68-7 | 2,5-Dimethoxy-4-propoxybenzaldehyde | C12H16O4 | 224.104859 | InChI=1S/C12H16O4/c1-4-5-16-12-7-10(14-2)9(8-13)6-11(12)15-3/h6-8H,4-5H2,1-3H3 |
| C00062689 | 68505-69-1 | Benfuresate | C12H16O4S | 256.07692973 | InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3 |