Rubetaulanobiline B (CHEBI:215126)

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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	Rubetaulanobiline B

ChEBI ID	CHEBI:215126

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H20O3

Net Charge

Average Mass

248.322

Monoisotopic Mass

248.14124

InChI

InChI=1S/C15H20O3/c1-8-11-6-15(2,3)5-9(11)4-10-12(13(8)16)7-18-14(10)17/h4,8,11,13,16H,5-7H2,1-3H3/t8-,11-,13-/m1/s1

InChIKey

JODSFOCIMNCOQW-XTWCZFFVSA-N

SMILES

O=C1OCC2=C1C=C3[C@H](CC(C3)(C)C)[C@H]([C@H]2O)C

Metabolite of Species	Details
Russula nobilis (NCBI:txid2830151)	See: PubMed

ChEBI Ontology
Outgoing	Rubetaulanobiline B (CHEBI:215126) is a butenolide (CHEBI:50523)

IUPAC Name

(4R,5R,5aR)-4-hydroxy-5,7,7-trimethyl-3,4,5,5a,6,8-hexahydroazuleno[5,6-c]uran-1-one