EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215021 - Childinasterone A

ChEBI IDCHEBI:215021
ChEBI NameChildinasterone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O3
Net Charge0
Average Mass424.625
Monoisotopic Mass424.29775
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC(=O)[C@]1(C)CC[C@H]1C(=O)C=CC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C28H40O3/c1-18(2)19(3)7-8-20(4)23-10-12-26(31)28(23,6)16-14-24-25(30)11-9-21-17-22(29)13-15-27(21,24)5/h7-9,11,17-20,23-24H,10,12-16H2,1-6H3/b8-7+/t19-,20+,23+,24-,27-,28+/m0/s1
InChIKeyOWVDUMPVSFNJOO-XLNVFBDASA-N
Species of MetaboliteComponentSourceComments
Daldinia childiae (ncbitaxon:326645) - PubMed (28686900)
ChEBI Ontology
Outgoing Relation(s)
Childinasterone A (CHEBI:215021) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,8aR)-1-[2-[(1R,2R)-2-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-1-methyl-5-oxocyclopentyl]ethyl]-8a-methyl-7,8-dihydro-1H-naphthalene-2,6-dione
Manual XrefsDatabases
78443489ChemSpider