Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007103
PROPERTIES
| NPAID | NPA007103 |
|---|---|
| CLUSTER ID | 903 |
| NODE ID | 782 |
| NAME | Fusacandin A |
| FORMULA | C51H74O21 |
| MOLECULAR WEIGHT (Da) | 1023.1320 |
| ACCURATE MASS (Da) | 1022.4723 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | sambucinum |
| InChIKey | XRQGNAQBXJWDHO-QLSFIZDISA-N |
| InChI | InChI=1S/C51H74O21/c1-3-5-7-9-11-13-16-20-31(55)21-17-15-19-23-38(59)70-48-45(65)47(39-30(26-52)24-32(56)25-33(39)57)67-35(28-54)46(48)71-51-49(72-50-44(64)42(62)40(60)34(27-53)68-50)43(63)41(61)36(69-51)29-66-37(58)22-18-14-12-10-8-6-4-2/h11-20,22-25,31,34-36,40-57,60-65H,3-10,21,26-29H2,1-2H3/b13-11+,14-12-,17-15+,20-16+,22-18+,23-19+/t31?,34-,35-,36-,40+,41+,42+,43+,44-,45+,46-,47+,48-,49-,50+,51+/m1/s1 |
| SMILES | CCCCC/C=C/C=C/C(C/C=C/C=C/C(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)/C=C/C=C\CCCCC)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)C4=C(C=C(C=C4CO)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jackson; Frost; Karwowski; Humphrey; Dahod; Choi; Brandt; Malmberg; Rasmussen; Scherr; Flamm; Kadam; McAlpine Fusacandins A and B; Novel antifungal antibiotics of the papulacandin class from Fusarium sambucinum. I. Identity of the producing organism, fermentation and biological activity Journal of Antibiotics 1995 48 (7) 608-613. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.48.608 | PMID | 7649856 |
