EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217724 - Mucorinic acid A

ChEBI IDCHEBI:217724
ChEBI NameMucorinic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESC/C(=C\CC/C(C)=C/C(=O)O)C/C=C/[C@]1(C)CC[C@H](C(C)(C)O)O1
InChIInChI=1S/C20H32O4/c1-15(8-6-9-16(2)14-18(21)22)10-7-12-20(5)13-11-17(24-20)19(3,4)23/h7-8,12,14,17,23H,6,9-11,13H2,1-5H3,(H,21,22)/b12-7+,15-8+,16-14+/t17-,20-/m1/s1
InChIKeyGNUKGZCDYOYXSD-LWVCXRAESA-N
Species of MetaboliteComponentSourceComments
Mucor (ncbitaxon:4830) - DOI (10.1016/j.tetlet.2017.08.031)
ChEBI Ontology
Outgoing Relation(s)
Mucorinic acid A (CHEBI:217724) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2E,6E,9E)-10-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7-dimethyldeca-2,6,9-trienoic acid
Manual XrefsDatabases
78443344ChemSpider