Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA028961
PROPERTIES
NPAID | NPA028961 |
---|---|
CLUSTER ID | 95 |
NODE ID | 90 |
NAME | Subglutinol B |
FORMULA | C27H38O4 |
MOLECULAR WEIGHT (Da) | 426.5970 |
ACCURATE MASS (Da) | 426.2770 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Fusarium |
ORIGIN SPECIES | subglutinans |
InChIKey | SXNPXUJAUIINIU-ZZJUZBICSA-N |
InChI | InChI=1S/C27H38O4/c1-15(2)12-19-14-27(7)22-9-8-16(3)21(26(22,6)11-10-23(27)31-19)13-20-24(28)17(4)18(5)30-25(20)29/h12,19,21-23,28H,3,8-11,13-14H2,1-2,4-7H3/t19-,21+,22+,23-,26+,27-/m0/s1 |
SMILES | C=C1CC[C@H]2[C@]3(C)C[C@H](C=C(C)C)O[C@H]3CC[C@]2(C)[C@@H]1CC1=C(O)C(C)=C(C)OC1=O |
ORIGINAL ISOLATION REFERENCE
CITATION | Lee, Julie C.; Lobkovsky, Emil; Pliam, Nathan B.; Strobel, Gary; Clardy, Jon Subglutinols A and B: Immunosuppressive compounds from the endophytic fungus Fusarium subglutinans Journal of Organic Chemistry 1995 60 (22) 7076-7077. | ||
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DOI | 10.1021/jo00127a001 | PMID | - |