EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202766 - Adametacorenol B

ChEBI IDCHEBI:202766
ChEBI NameAdametacorenol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O4
Net Charge0
Average Mass294.391
Monoisotopic Mass294.18311
SMILESC=C(C)[C@H]1[C@H](OC(C)=O)C[C@H](C)[C@@]12CC=C(CO)[C@@H](O)C2
InChIInChI=1S/C17H26O4/c1-10(2)16-15(21-12(4)19)7-11(3)17(16)6-5-13(9-18)14(20)8-17/h5,11,14-16,18,20H,1,6-9H2,2-4H3/t11-,14-,15+,16-,17-/m0/s1
InChIKeyBRGWKDBQHPDPAZ-WZYMBKROSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26039736)
ChEBI Ontology
Outgoing Relation(s)
Adametacorenol B (CHEBI:202766) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(1S,3R,4R,5S,9S)-9-hydroxy-8-(hydroxymethyl)-1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-3-yl] acetate
Manual XrefsDatabases
35517074ChemSpider