Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004688542 | Bronze | 3-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(4E,6E,9Z)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12-tetramethyloctadeca-4,6,9-trien-2-yl]pyran-2-one |
| CCMSLIB00004688543 | Bronze | 3-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(4E,6E,9Z)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12-tetramethyloctadeca-4,6,9-trien-2-yl]pyran-2-one |
COMPOUND NPA007275
PROPERTIES
| NPAID | NPA007275 |
|---|---|
| CLUSTER ID | 565 |
| NODE ID | 504 |
| NAME | Neofusapyrone |
| FORMULA | C34H54O9 |
| MOLECULAR WEIGHT (Da) | 606.7970 |
| ACCURATE MASS (Da) | 606.3768 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | sp. FH-146 |
| InChIKey | HEECQDWUNPZALD-ZBNIOBMFSA-N |
| InChI | InChI=1S/C34H54O9/c1-7-8-9-10-11-21(2)14-23(4)16-24(19-35)15-22(3)12-13-28(39)34(5,6)29-18-26(37)30(33(41)43-29)32-31(40)27(38)17-25(20-36)42-32/h12-13,15-16,18,21,24-25,27-28,31-32,35-40H,7-11,14,17,19-20H2,1-6H3/b13-12+,22-15+,23-16-/t21?,24?,25-,27-,28?,31+,32-/m0/s1 |
| SMILES | CCCCCCC(C)C/C(=C\C(CO)/C=C(\C)/C=C/C(C(C)(C)C1=CC(=C(C(=O)O1)[C@H]2[C@@H]([C@H](C[C@H](O2)CO)O)O)O)O)/C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hiramatsu, Fuminori; Miyajima, Takeshi; Murayama, Tetsuya; Takahashi, Koetsu; Koseki, Takuya; Shiono, Yoshihito Isolation and structure elucidation of neofusapyrone from a marine-derived fusarium species, and structural revision of fusapyrone and deoxyfusapyrone Journal of Antibiotics 2006 59 (11) 704-709. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2006.94 | PMID | 17256469 |
