EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186126 - 13,14-dihydroxy-11-mulinen-20-oic acid

ChEBI IDCHEBI:186126
ChEBI Name13,14-dihydroxy-11-mulinen-20-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O4
Net Charge0
Average Mass350.499
Monoisotopic Mass350.24571
SMILES[H][C@@]12C=C[C@](C)(O)[C@](C)(O)C[C@]1(C)CC[C@]1(C(=O)O)[C@@H](C(C)C)CC[C@@]21[H]
InChIInChI=1S/C21H34O4/c1-13(2)14-6-7-16-15-8-9-19(4,24)20(5,25)12-18(15,3)10-11-21(14,16)17(22)23/h8-9,13-16,24-25H,6-7,10-12H2,1-5H3,(H,22,23)/t14-,15+,16+,18+,19+,20-,21+/m1/s1
InChIKeyAKBSNWDXVWOXPJ-XKLYTAQNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
13,14-dihydroxy-11-mulinen-20-oic acid (CHEBI:186126) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3R,3aS,5aS,7R,8S,10aS,10bS)-7,8-dihydroxy-5a,7,8-trimethyl-3-propan-2-yl-1,2,3,4,5,6,10a,10b-octahydrocyclohepta[g]indene-3a-carboxylic acid
Manual XrefsDatabases
24846814ChemSpider