Trichobotrysin A (CHEBI:211474)

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CHEBI:211474 - Trichobotrysin A

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ChEBI ID	CHEBI:211474
ChEBI Name	Trichobotrysin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H39NO4
Net Charge	0
Average Mass	429.601
Monoisotopic Mass	429.28791
SMILES	CCC(C)[C@@H]1C(=O)/C(=C(/O)[C@H]2[C@H]3[C@H](C=C(C)[C@@H]2[C@]2(C)O[C@H]2C)CCC[C@@H]3C)C(=O)N1C
InChI	InChI=1S/C26H39NO4/c1-8-13(2)22-24(29)20(25(30)27(22)7)23(28)19-18-14(3)10-9-11-17(18)12-15(4)21(19)26(6)16(5)31-26/h12-14,16-19,21-22,28H,8-11H2,1-7H3/b23-20-/t13?,14-,16-,17-,18+,19-,21-,22+,26+/m0/s1
InChIKey	HQUZDIJDDVGVJA-NTOPCHQFSA-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 A (CHEBI:211474) 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]-5-butan-2-yl-1-methylpyrrolidine-2,4-dione

Manual Xrefs	Databases
40256684	ChemSpider