EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211748 - Psathyrelloic acid

ChEBI IDCHEBI:211748
ChEBI NamePsathyrelloic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESC/C(=C\C[C@@]1(C)CC[C@H](C(C)C)C1=CC/C(=C\CO)C(=O)O)C(=O)O
InChIInChI=1S/C20H30O5/c1-13(2)16-8-11-20(4,10-7-14(3)18(22)23)17(16)6-5-15(9-12-21)19(24)25/h6-7,9,13,16,21H,5,8,10-12H2,1-4H3,(H,22,23)(H,24,25)/b14-7+,15-9+,17-6?/t16-,20+/m1/s1
InChIKeyYNSXHFRWBMHNHW-XMZPZSOLSA-N
Species of MetaboliteComponentSourceComments
Candolleomyces candolleanus (ncbitaxon:71730) - DOI (10.1177/1934578X19850958)
ChEBI Ontology
Outgoing Relation(s)
Psathyrelloic acid (CHEBI:211748) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-2-[2-[(2R,5R)-2-[(E)-3-carboxybut-2-enyl]-2-methyl-5-propan-2-ylcyclopentylidene]ethyl]-4-hydroxybut-2-enoic acid