EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:203929 - Trichobotrysin D

ChEBI IDCHEBI:203929
ChEBI NameTrichobotrysin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37NO3
Net Charge0
Average Mass399.575
Monoisotopic Mass399.27734
SMILESC/C=C(\C)[C@H]1C(C)=C[C@@H]2CCC[C@H](C)[C@H]2[C@@H]1/C(O)=C1\C(=O)[C@@H](C(C)C)N(C)C1=O
InChIInChI=1S/C25H37NO3/c1-8-14(4)18-16(6)12-17-11-9-10-15(5)19(17)20(18)23(27)21-24(28)22(13(2)3)26(7)25(21)29/h8,12-13,15,17-20,22,27H,9-11H2,1-7H3/b14-8+,23-21-/t15-,17-,18-,19+,20+,22+/m0/s1
InChIKeyCFYZWMOGIXBXRL-NKFVHPGGSA-N
Species of MetaboliteComponentSourceComments
Trichobotrys (ncbitaxon:1520156) - DOI (10.1016/j.tet.2015.10.010)
ChEBI Ontology
Outgoing Relation(s)
Trichobotrysin D (CHEBI:203929) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3Z,5R)-3-[[(1S,2S,4aR,8S,8aR)-2-[(E)-but-2-en-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione
Manual XrefsDatabases
40256687ChemSpider