Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA003834
PROPERTIES
NPAID | NPA003834 |
---|---|
CLUSTER ID | 106 |
NODE ID | 101 |
NAME | Chaetomugilin C |
FORMULA | C23H25ClO6 |
MOLECULAR WEIGHT (Da) | 432.9000 |
ACCURATE MASS (Da) | 432.1340 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Chaetomium |
ORIGIN SPECIES | sp. |
InChIKey | XFJDSTCMKMTALZ-URCVHWMISA-N |
InChI | InChI=1S/C23H25ClO6/c1-10(12(3)25)6-7-14-8-15-16(9-28-14)18-17-20(11(2)13(4)29-22(17)27)30-23(18,5)21(26)19(15)24/h6-13,18,25H,1-5H3/b7-6+/t10-,11-,12-,13-,18-,23+/m1/s1 |
SMILES | C[C@@H]1[C@H](OC(=O)C2=C1O[C@]3([C@@H]2C4=COC(=CC4=C(C3=O)Cl)/C=C/[C@@H](C)[C@@H](C)O)C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Yamada, Takeshi; Doi, Mitunobu; Shigeta, Hirohumi; Muroga, Yasuhide; Hosoe, Saki; Numata, Atsushi; Tanaka, Reiko Absolute stereostructures of cytotoxic metabolites, chaetomugilins A-C, produced by a Chaetomium species separated from a marine fish Tetrahedron Letters 2008 49 (26) 4192-4195. | ||
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DOI | 10.1016/j.tetlet.2008.04.060 | PMID | - |