EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210267 - Monakaocinol

ChEBI IDCHEBI:210267
ChEBI NameMonakaocinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O5
Net Charge0
Average Mass388.504
Monoisotopic Mass388.22497
SMILESC/C=C/C1=CC2=C(CO1)C(=O)[C@@]1(C)OC(=O)[C@@H]([C@H](O)CCCCCCC)[C@@H]1C2
InChIInChI=1S/C23H32O5/c1-4-6-7-8-9-11-19(24)20-18-13-15-12-16(10-5-2)27-14-17(15)21(25)23(18,3)28-22(20)26/h5,10,12,18-20,24H,4,6-9,11,13-14H2,1-3H3/b10-5+/t18-,19+,20+,23-/m0/s1
InChIKeyBZAWNFITIBUUFL-SWHOUQABSA-N
Species of MetaboliteComponentSourceComments
Monascus kaoliang (ncbitaxon:180403) - DOI (10.1007/s10600-019-02617-7)
ChEBI Ontology
Outgoing Relation(s)
Monakaocinol (CHEBI:210267) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(3R,3aS,9aS)-3-[(1R)-1-hydroxyoctyl]-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrouro[3,2-g]isochromene-2,9-dione