Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008805
PROPERTIES
| NPAID | NPA008805 |
|---|---|
| CLUSTER ID | 3719 |
| NODE ID | 2798 |
| NAME | A-108836 |
| FORMULA | C31H50O6S |
| MOLECULAR WEIGHT (Da) | 550.8020 |
| ACCURATE MASS (Da) | 550.3328 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | compactum |
| InChIKey | WUTCIYAEVCFZHD-VXDDAOQXSA-N |
| InChI | InChI=1S/C31H50O6S/c1-18(2)19(3)10-11-20(4)22-13-14-23-21-12-15-26-29(5,6)28(37-38(33,34)35)25(32)17-30(26,7)24(21)16-27(36-9)31(22,23)8/h12,16,18,20,22-23,25-28,32H,3,10-11,13-15,17H2,1-2,4-9H3,(H,33,34,35)/t20-,22-,23+,25-,26+,27+,28+,30-,31-/m1/s1 |
| SMILES | C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C=C3C2=CC[C@@H]4[C@@]3(C[C@H]([C@@H](C4(C)C)OS(=O)(=O)O)O)C)OC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Brill, Gregory M.; Kati, Warren M.; Montgomery, Debra; Karwowski, James P.; Humphrey, Patrick E.; Jackson, Marianna; Clement, Jacob J.; Kadam, Sunil; Chen, Randal H.; McAlpine, James B. Novel triterpene sulfates from Fusarium compactum using a rhinovirus 3C protease inhibitor screen Journal of Antibiotics 1996 49 (6) 541-546. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.49.541 | PMID | 8698636 |
