Trichobotrysin B (CHEBI:221877)

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CHEBI:221877 - Trichobotrysin B

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ChEBI ID	CHEBI:221877
ChEBI Name	Trichobotrysin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H37NO4
Net Charge	0
Average Mass	415.574
Monoisotopic Mass	415.27226
SMILES	CC1=C[C@@H]2CCC[C@H](C)[C@H]2[C@H](/C(O)=C2\C(=O)[C@@H](C(C)C)N(C)C2=O)[C@H]1[C@]1(C)O[C@H]1C
InChI	InChI=1S/C25H37NO4/c1-12(2)21-23(28)19(24(29)26(21)7)22(27)18-17-13(3)9-8-10-16(17)11-14(4)20(18)25(6)15(5)30-25/h11-13,15-18,20-21,27H,8-10H2,1-7H3/b22-19-/t13-,15-,16-,17+,18-,20-,21+,25+/m0/s1
InChIKey	PEBQSWUQULBCGF-SFOAYJPGSA-N

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

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Trichobotrysin B (CHEBI:221877) is a N-alkylpyrrolidine (CHEBI:46775)

IUPAC Name
(3Z,5R)-3-[[(1S,2R,4aR,8S,8aR)-2-[(2S,3S)-2,3-dimethyloxiran-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 Xrefs	Databases
40256685	ChemSpider