Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006209
PROPERTIES
| NPAID | NPA006209 |
|---|---|
| CLUSTER ID | 11 |
| NODE ID | 11 |
| NAME | Dioschrin |
| FORMULA | C33H26O13S |
| MOLECULAR WEIGHT (Da) | 662.6250 |
| ACCURATE MASS (Da) | 662.1094 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Alternaria |
| ORIGIN SPECIES | sp. |
| InChIKey | PPQIFFLSOGIRFI-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H26O13S/c1-12-6-14(34)22(15(35)7-12)28(39)24-19(43-3)10-17(37)30(26(24)32(41)44-4)47-31-18(38)11-21-25(27(31)33(42)45-5)29(40)23-16(36)8-13(2)9-20(23)46-21/h6-11,34-38H,1-5H3 |
| SMILES | CC1=CC(=C(C(=C1)O)C(=O)C2=C(C(=C(C=C2OC)O)SC3=C(C=C4C(=C3C(=O)OC)C(=O)C5=C(O4)C=C(C=C5O)C)O)C(=O)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cai, Shengxin; King, Jarrod B; Du, Lin; Powell, Douglas R; Cichewicz, Robert H Bioactive sulfur-containing sulochrin dimers and other metabolites from an Alternaria sp. isolate from a Hawaiian soil sample. Journal of Natural Products 2014 77 (10) 2280-2287. | ||
|---|---|---|---|
| DOI | 10.1021/np5005449 | PMID | 25265160 |
