EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186805 - (+)-7beta-Hydroxy-15-beyeren-19-oic acid

ChEBI IDCHEBI:186805
ChEBI Name(+)-7beta-Hydroxy-15-beyeren-19-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILES[H][C@]12C[C@H](O)[C@@]34C=C[C@@](C)(CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(=O)O)C4
InChIInChI=1S/C20H30O3/c1-17-8-5-13-18(2)6-4-7-19(3,16(22)23)14(18)11-15(21)20(13,12-17)10-9-17/h9-10,13-15,21H,4-8,11-12H2,1-3H3,(H,22,23)/t13-,14-,15-,17+,18-,19+,20+/m0/s1
InChIKeyJBZBBYSLHBTTHB-ZWOHWCSTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(+)-7beta-Hydroxy-15-beyeren-19-oic acid (CHEBI:186805) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,4S,5R,9S,10S,13S)-2-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
Manual XrefsDatabases
24846778ChemSpider