Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008495
PROPERTIES
| NPAID | NPA008495 |
|---|---|
| CLUSTER ID | 903 |
| NODE ID | 782 |
| NAME | BU-4794F |
| FORMULA | C45H58O16 |
| MOLECULAR WEIGHT (Da) | 854.9430 |
| ACCURATE MASS (Da) | 854.3725 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Gilmaniella |
| ORIGIN SPECIES | gilmaniella sp. FA4459 |
| InChIKey | JSBUKGAJQOVJAQ-FWXIESFESA-N |
| InChI | InChI=1S/C45H58O16/c1-3-5-7-9-11-13-16-20-30(47)21-17-15-19-23-36(51)59-42-41(33(26-46)61-45(43(42)55)37-29(27-57-45)24-31(48)25-32(37)49)60-44-40(54)39(53)38(52)34(58-44)28-56-35(50)22-18-14-12-10-8-6-4-2/h7-20,22-25,30,33-34,38-44,46-49,52-55H,3-6,21,26-28H2,1-2H3/b9-7+,10-8+,13-11+,14-12+,17-15+,20-16+,22-18+,23-19+/t30?,33-,34?,38+,39+,40-,41-,42+,43-,44+,45+/m1/s1 |
| SMILES | CCC/C=C/C=C/C=C/C(C/C=C/C=C/C(=O)O[C@H]1[C@@H]([C@H](O[C@]2([C@@H]1O)C3=C(C=C(C=C3CO2)O)O)CO)O[C@H]4[C@@H]([C@H]([C@H](C(O4)COC(=O)/C=C/C=C/C=C/CCC)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | AOKI, MIKA; ANDOH, TSUTOMU; UEKI, TOMOKAZU; MASUYOSHI, SHINJI; SUGAWARA, KOKO; OKI, TOSHIKAZU BU-4794F, a new beta-1,3-glucan synthase inhibitor Journal of Antibiotics 1993 46 (6) 952-960. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.46.952 | PMID | 8344877 |
