Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA026710
PROPERTIES
NPAID | NPA026710 |
---|---|
CLUSTER ID | 8070 |
NODE ID | 3331 |
NAME | Neosetophomone A |
FORMULA | C24H32O5 |
MOLECULAR WEIGHT (Da) | 400.5150 |
ACCURATE MASS (Da) | 400.2250 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Neosetophoma |
ORIGIN SPECIES | sp. MSX50044 |
InChIKey | JDGBKIDDVUAAPL-LLEJUZHESA-N |
InChI | InChI=1S/C24H32O5/c1-15-7-10-21(3,4)8-6-9-22(5)17(11-18(15)25)12-23-16(2)14-28-24(23,29-22)13-19(26)20(23)27/h6-8,13-14,17-18,25-26H,9-12H2,1-5H3/b8-6+,15-7+/t17-,18+,22+,23+,24+/m1/s1 |
SMILES | CC1=CO[C@]23C=C(O)C(=O)[C@]12C[C@H]1C[C@H](O)/C(C)=C/CC(C)(C)/C=C/C[C@]1(C)O3 |
ORIGINAL ISOLATION REFERENCE
CITATION | El-Elimat, Tamam; Raja, Huzefa A.; Ayers, Sloan; Kurina, Steven J.; Burdette, Joanna E.; Mattes, Zachary; Sabatelle, Robert; Bacon, Jeffrey W.; Colby, Aaron H.; Grinstaff, Mark W.; Pearce, Cedric J.; Oberlies, Nicholas H. Meroterpenoids from Neosetophoma sp.: A Dioxa[4.3.3]propellane Ring System, Potent Cytotoxicity, and Prolific Expression Organic Letters 2019 21 (2) 529-534. | ||
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DOI | 10.1021/acs.orglett.8b03769 | PMID | 30620608 |