Vinosane (CHEBI:206448)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206448 - Vinosane

Take structure to advanced search

ChEBI ID	CHEBI:206448
ChEBI Name	Vinosane
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H22O3
Net Charge	0
Average Mass	250.338
Monoisotopic Mass	250.15689
SMILES	C[C@@H]1CC[C@]2(OCC=C2C(=O)O)[C@H]2[C@H]1CC[C@@H]2C
InChI	InChI=1S/C15H22O3/c1-9-5-7-15(12(14(16)17)6-8-18-15)13-10(2)3-4-11(9)13/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,16,17)/t9-,10+,11+,13-,15-/m1/s1
InChIKey	UUUOAZAVWQGTNN-PQNYFRGHSA-N

Species of Metabolite	Component	Source	Comments
Russula vinosa (ncbitaxon:176830)	-	PubMed (30987109)

ChEBI Ontology

Outgoing Relation(s)
	Vinosane (CHEBI:206448) is a iridoid monoterpenoid (CHEBI:50563)

IUPAC Name
(1S,3aS,4R,7S,7aR)-1,4-dimethylspiro[1,2,3,3a,4,5,6,7a-octahydroindene-7,5'-2H-uran]-4'-carboxylic acid