Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA009451
PROPERTIES
NPAID | NPA009451 |
---|---|
CLUSTER ID | 279 |
NODE ID | 253 |
NAME | Gliocladine D |
FORMULA | C23H20N4O3S3 |
MOLECULAR WEIGHT (Da) | 496.6390 |
ACCURATE MASS (Da) | 496.0698 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Gliocladium |
ORIGIN SPECIES | roseum |
InChIKey | FIIJQUIYIBLWOG-PHXJMUFTSA-N |
InChI | InChI=1S/C23H20N4O3S3/c1-21-19(29)27-18-22(13-8-4-6-10-16(13)25-18,14-11-24-15-9-5-3-7-12(14)15)17(28)23(27,32-33-31-21)20(30)26(21)2/h3-11,17-18,24-25,28H,1-2H3/t17-,18+,21-,22+,23-/m0/s1 |
SMILES | C[C@]12C(=O)N3[C@@H]4[C@]([C@@H]([C@@]3(C(=O)N1C)SSS2)O)(C5=CC=CC=C5N4)C6=CNC7=CC=CC=C76 |
ORIGINAL ISOLATION REFERENCE
CITATION | Dong, Jin-Yan; He, Hong-Ping; Shen, Yue-Mao; Zhang, Ke-Qin Nematicidal epipolysulfanyldioxopiperazines from Gliocladium roseum Journal of Natural Products 2005 68 (10) 1510-1513. | ||
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DOI | 10.1021/np0502241 | PMID | 16252916 |