Trichobotrysin C (CHEBI:200873)

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CHEBI:200873 - Trichobotrysin C

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ChEBI ID	CHEBI:200873
ChEBI Name	Trichobotrysin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H37NO4
Net Charge	0
Average Mass	415.574
Monoisotopic Mass	415.27226
SMILES	C/C=C(\C)[C@@H]1[C@@H](/C(O)=C2\C(=O)[C@@H](C(C)C)N(C)C2=O)[C@H]2[C@@H](CCC[C@@H]2C)[C@H]2O[C@]21C
InChI	InChI=1S/C25H37NO4/c1-8-13(4)19-17(16-14(5)10-9-11-15(16)23-25(19,6)30-23)21(27)18-22(28)20(12(2)3)26(7)24(18)29/h8,12,14-17,19-20,23,27H,9-11H2,1-7H3/b13-8+,21-18-/t14-,15+,16+,17-,19+,20+,23+,25-/m0/s1
InChIKey	QVIXMXLKXIWYKD-VNBVSDCXSA-N

Species of Metabolite	Component	Source	Comments
Trichobotrys (ncbitaxon:1520156)	-	DOI (10.1016/j.tet.2015.10.010)

ChEBI Ontology

Outgoing Relation(s)
	Trichobotrysin C (CHEBI:200873) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(3Z,5R)-3-[[(1aS,2S,3S,3aR,4S,7aR,7bR)-2-[(E)-but-2-en-2-yl]-1a,4-dimethyl-3,3a,4,5,6,7,7a,7b-octahydro-2H-naphtho[1,2-b]oxiren-3-yl]-hydroxymethylidene]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione

Manual Xrefs	Databases
78440838	ChemSpider