Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA007823
PROPERTIES
NPAID | NPA007823 |
---|---|
CLUSTER ID | 84 |
NODE ID | 79 |
NAME | Boydine D |
FORMULA | C31H36N2O8S2 |
MOLECULAR WEIGHT (Da) | 628.7690 |
ACCURATE MASS (Da) | 628.1913 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Pseudallescheria |
ORIGIN SPECIES | boydii |
InChIKey | QRBLNDFKPJFNFP-IDYPZPIUSA-N |
InChI | InChI=1S/C31H36N2O8S2/c1-7-16(2)25(35)17(3)26(36)18(4)27(37)41-22-11-12-40-15-20-14-31(43-6)28(38)32-23-19(9-8-10-21(23)34)13-30(32,42-5)29(39)33(31)24(20)22/h7-12,15,17-18,22,24,26,34,36H,13-14H2,1-6H3/t17-,18-,22+,24+,26+,30-,31-/m1/s1 |
SMILES | CC=C(C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C(=O)O[C@H]1C=COC=C2[C@@H]1N3C(=O)[C@@]4(CC5=C(N4C(=O)[C@@]3(C2)SC)C(=CC=C5)O)SC)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Wu, Qi; Jiang, Nan; Bo Han, Wen; Ning Mei, Ya; Ming Ge, Hui; Kai Guo, Zhi; Seik Weng, Ng; Xiang Tan, Ren Antibacterial epipolythiodioxopiperazine and unprecedented sesquiterpene from Pseudallescheria boydii, a beetle (coleoptera)-associated fungus Organic & Biomolecular Chemistry 2014 12 (46) 9405-9412. | ||
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DOI | 10.1039/c4ob01494d | PMID | 25319640 |