Pseudopteroxazole (CHEBI:66786)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	Pseudopteroxazole

ChEBI ID	CHEBI:66786

Definition	A natural product found in Pseudopterogorgia elisabethae.

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C21H27NO

Net Charge

Average Mass

309.44520

Monoisotopic Mass

309.20926

InChI

InChI=1S/C21H27NO/c1-11(2)8-15-9-13(4)16-7-6-12(3)17-19(16)18(15)14(5)20-21(17)23-10-22-20/h8,10,12-13,15-16H,6-7,9H2,1-5H3/t12-,13-,15+,16+/m0/s1

InChIKey

HTRVXIUUWGLCAT-WMHQRMGPSA-N

SMILES

[H][C@]12CC[C@H](C)c3c1c([C@@H](C[C@@H]2C)C=C(C)C)c(C)c1ncoc31

Metabolite of Species	Details
Pseudopterogorgia elisabethae (NCBI:txid204377)	See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	Pseudopteroxazole (CHEBI:66786) has role metabolite (CHEBI:25212) Pseudopteroxazole (CHEBI:66786) is a tetralins (CHEBI:36786)

Synonyms	Sources
(1S,3aR,4S,6S)-1,4,7-Trimethyl-6-(2-methyl-1-propen-1-yl)-2,3,3a,4,5,6-hexahydro-1H-phenaleno[2,1-d][1,3]oxazole	ChEBI
(2S,4S,5R,8S)-4,8,15-trimethyl-2-(2-methylprop-1-en-1-yl)-11-oxa-13-azatetracyclo[7.6.1.0(5,1)6.0(10,14)]hexadeca-1(16),9,12,14-tetraene	ChEBI

Citation	Type	Source
10822593	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:benzoxazole(CHEBI:46700); ISA:toluenes(CHEBI:27024); ISA:oxazole(CHEBI:35790); ISA:organonitrogen compound(CHEBI:35352); ISA:organooxygen compound(CHEBI:36963);