Repraesentin B (CHEBI:223916)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Repraesentin B

ChEBI ID	CHEBI:223916

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O2

Net Charge

Average Mass

236.355

Monoisotopic Mass

236.17763

InChI

InChI=1S/C15H24O2/c1-13(9-16)6-10-7-14(2)4-5-15(3,12(14)17)11(10)8-13/h10-11,16H,4-9H2,1-3H3/t10-,11-,13-,14-,15+/m0/s1

InChIKey

DPURLFMGBJOYKI-IXDBCEGASA-N

SMILES

O=C1[C@]2([C@@H]3[C@@H](C[C@@](C3)(CO)C)C[C@@]1(CC2)C)C

Metabolite of Species	Details
Lactarius repraesentaneus (NCBI:txid239216)	See: PubMed

ChEBI Ontology
Outgoing	Repraesentin B (CHEBI:223916) is a ketone (CHEBI:17087)

IUPAC Name

(1R,2S,4S,6S,8S)-4-(hydroxymethyl)-1,4,8-trimethyltricyclo[6.2.1.02,6]undecan-11-one