Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA025517
PROPERTIES
NPAID | NPA025517 |
---|---|
CLUSTER ID | 294 |
NODE ID | 266 |
NAME | Bipolaricin D |
FORMULA | C25H34O4 |
MOLECULAR WEIGHT (Da) | 398.5430 |
ACCURATE MASS (Da) | 398.2457 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Bipolaris |
ORIGIN SPECIES | sp. TJ403-B1 |
InChIKey | CTSVZRAXIDMCJX-AWTDKLLZSA-N |
InChI | InChI=1S/C25H34O4/c1-14(2)10-17-12-16(4)25(29-17)9-8-24(5)13-19-15(3)11-20(26)22(19)18(23(27)28)6-7-21(24)25/h6,10-11,16-17,19,21-22H,7-9,12-13H2,1-5H3,(H,27,28)/t16-,17-,19+,21+,22-,24+,25-/m0/s1 |
SMILES | C[C@H]1C[C@@H](O[C@@]12CC[C@]3([C@H]2CC=C([C@H]4[C@H](C3)C(=CC4=O)C)C(=O)O)C)C=C(C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Liu M; Sun W; Shen L; Hao X; Al Anbari WH; Lin S; Li H; Gao W; Wang J; Hu Z; Zhang Y Bipolaricins A-I, Ophiobolin-Type Tetracyclic Sesterterpenes from a Phytopathogenic Bipolaris sp. Fungus. Journal of Natural Products 2019 82 (10) 2897-2906. | ||
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DOI | 10.1021/acs.jnatprod.9b00744 | PMID | 31573805 |