Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA012542
PROPERTIES
NPAID | NPA012542 |
---|---|
CLUSTER ID | 4700 |
NODE ID | 3419 |
NAME | Trichodiene |
FORMULA | C15H24 |
MOLECULAR WEIGHT (Da) | 204.3570 |
ACCURATE MASS (Da) | 204.1878 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Trichothecium |
ORIGIN SPECIES | roseum |
InChIKey | YFLSTROSSKYYNK-CABCVRRESA-N |
InChI | InChI=1S/C15H24/c1-12-7-10-14(3,11-8-12)15(4)9-5-6-13(15)2/h7H,2,5-6,8-11H2,1,3-4H3/t14-,15+/m1/s1 |
SMILES | CC1=CC[C@@](CC1)(C)[C@]2(CCCC2=C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Nozoe, S; Machida, Y The structures of trichodiol and trichodiene Tetrahedron 1972 28 (20) 5105-5111. | ||
---|---|---|---|
DOI | 10.1016/s0040-4020(01)88929-8 | PMID | - |