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CHEBI:224250 - Trichobotrysin E

ChEBI IDCHEBI:224250
ChEBI NameTrichobotrysin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H39NO3
Net Charge0
Average Mass413.602
Monoisotopic Mass413.29299
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)CC)N(C)C1=O
InChIInChI=1S/C26H39NO3/c1-8-14(3)19-17(6)13-18-12-10-11-16(5)20(18)21(19)24(28)22-25(29)23(15(4)9-2)27(7)26(22)30/h8,13,15-16,18-21,23,28H,9-12H2,1-7H3/b14-8+,24-22-/t15?,16-,18-,19-,20+,21+,23+/m0/s1
InChIKeyMGZPBOOSKMHNIE-CYIADFAGSA-N
Species of MetaboliteComponentSourceComments
Trichobotrys (ncbitaxon:1520156) - DOI (10.1016/j.tet.2015.10.010)
ChEBI Ontology
Outgoing Relation(s)
Trichobotrysin E (CHEBI:224250) 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]-5-butan-2-yl-1-methylpyrrolidine-2,4-dione
Manual XrefsDatabases
40256688ChemSpider