Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011037
PROPERTIES
| NPAID | NPA011037 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | 4-(4'-(2'-methoxy-4'-sulfoxy-3',5',6'-trimethylbenzoyloxy)-2'-hydroxy-3',5',6'-trimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylbenzoic acid |
| FORMULA | C32H36O13S |
| MOLECULAR WEIGHT (Da) | 660.6940 |
| ACCURATE MASS (Da) | 660.1877 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichophyton |
| ORIGIN SPECIES | rubrum |
| InChIKey | BWGCUMHTLPQADR-UHFFFAOYSA-N |
| InChI | InChI=1S/C32H36O13S/c1-12-15(4)25(43-32(37)23-14(3)17(6)27(45-46(38,39)40)20(9)29(23)42-11)18(7)24(33)21(12)31(36)44-26-16(5)13(2)22(30(34)35)28(41-10)19(26)8/h33H,1-11H3,(H,34,35)(H,38,39,40) |
| SMILES | CC1=C(C(=C(C(=C1C)OC(=O)C2=C(C(=C(C(=C2OC)C)OS(=O)(=O)O)C)C)C)O)C(=O)OC3=C(C(=C(C(=C3C)OC)C(=O)O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bertrand, Samuel; Schumpp, Olivier; Bohni, Nadine; Monod, Michel; Gindro, Katia; Wolfender, Jean-Luc De novo production of metabolites by fungal co-culture of trichophyton rubrum and bionectria ochroleuca Journal of Natural Products 2013 76 (6) 1157-1165. | ||
|---|---|---|---|
| DOI | 10.1021/np400258f | PMID | 23734767 |
