Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA003207
PROPERTIES
NPAID | NPA003207 |
---|---|
CLUSTER ID | 282 |
NODE ID | 256 |
NAME | Gymnastatin C |
FORMULA | C24H37Cl2NO6 |
MOLECULAR WEIGHT (Da) | 506.4670 |
ACCURATE MASS (Da) | 505.1998 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Gymnascella |
ORIGIN SPECIES | dankaliensis |
InChIKey | CFUQAHJWAPYZID-OESCQZSVSA-N |
InChI | InChI=1S/C24H37Cl2NO6/c1-5-6-7-8-9-14(2)12-15(3)10-11-17(28)27-16-13-24(33-23(16)32-4)21(30)18(25)20(29)19(26)22(24)31/h10-12,14,16,18-19,21-23,30-31H,5-9,13H2,1-4H3,(H,27,28)/b11-10+,15-12+/t14?,16-,18-,19+,21+,22+,23?,24?/m0/s1 |
SMILES | CCCCCCC(C)/C=C(\C)/C=C/C(=O)N[C@H]1CC2([C@@H]([C@H](C(=O)[C@H]([C@H]2O)Cl)Cl)O)OC1OC |
ORIGINAL ISOLATION REFERENCE
CITATION | Numata, Atsushi; Amagata, Taro; Minoura, Katsuhiko; Ito, Tadayoshi Gymnastatins, novel cytotoxic metabolites produced by a fungal strain from a sponge Tetrahedron Letters 1997 38 (32) 5675-5678. | ||
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DOI | 10.1016/s0040-4039(97)01236-7 | PMID | - |