Cibetaetin (CHEBI:204326)

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CHEBI:204326 - Cibetaetin

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ChEBI ID	CHEBI:204326
ChEBI Name	Cibetaetin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H33NO4
Net Charge	0
Average Mass	387.520
Monoisotopic Mass	387.24096
SMILES	C/C=C/[C@@H]1C=C[C@@H]2C[C@@H](C)CC[C@@H]2[C@]1(C)/C(O)=C1\C(=O)[C@H](C(C)O)N(C)C1=O
InChI	InChI=1S/C23H33NO4/c1-6-7-16-10-9-15-12-13(2)8-11-17(15)23(16,4)21(27)18-20(26)19(14(3)25)24(5)22(18)28/h6-7,9-10,13-17,19,25,27H,8,11-12H2,1-5H3/b7-6+,21-18-/t13-,14?,15+,16+,17-,19-,23+/m0/s1
InChIKey	ALZYMNAJOKGMOH-KVPVDSPJSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cibetaetin (CHEBI:204326) is a N-alkylpyrrolidine (CHEBI:46775)

IUPAC Name
(3Z,5S)-3-[[(1S,2R,4aS,6S,8aS)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)-1-methylpyrrolidine-2,4-dione

Manual Xrefs	Databases
78437123	ChemSpider