EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182847 - Jatrointelone A from S.guyanensis

ChEBI IDCHEBI:182847
ChEBI NameJatrointelone A from S.guyanensis
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILES[H][C@@]12C[C@@](C)(O)CC[C@]3([H])C(C)(C)[C@]3([H])/C=C(\C)C(=O)[C@@]1(O)C=C(C)C2=O
InChIInChI=1S/C20H28O4/c1-11-8-14-13(18(14,3)4)6-7-19(5,23)10-15-16(21)12(2)9-20(15,24)17(11)22/h8-9,13-15,23-24H,6-7,10H2,1-5H3/b11-8+/t13-,14+,15-,19-,20+/m0/s1
InChIKeyHNZIXHILPGPDTD-LIOYNICESA-N
ChEBI Ontology
Outgoing Relation(s)
Jatrointelone A from S.guyanensis (CHEBI:182847) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,3E,5R,7S,10S,12R)-1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione