EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202230 - Virginiae butanolide A

ChEBI IDCHEBI:202230
ChEBI NameVirginiae butanolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O4
Net Charge0
Average Mass230.304
Monoisotopic Mass230.15181
SMILESCC(C)CCC[C@H](O)[C@@H]1C(=O)OC[C@H]1CO
InChIInChI=1S/C12H22O4/c1-8(2)4-3-5-10(14)11-9(6-13)7-16-12(11)15/h8-11,13-14H,3-7H2,1-2H3/t9-,10+,11-/m1/s1
InChIKeyMZARLLPKPUWXEX-OUAUKWLOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces virginiae (ncbitaxon:1961) - PubMed (3108224)
ChEBI Ontology
Outgoing Relation(s)
Virginiae butanolide A (CHEBI:202230) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(3R,4R)-4-(hydroxymethyl)-3-[(1S)-1-hydroxy-5-methylhexyl]oxolan-2-one
Manual XrefsDatabases
8212395ChemSpider