EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185861 - (-)-Solenolide A

Default Structure
ChEBI IDCHEBI:185861
ChEBI Name(-)-Solenolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39ClO9
Net Charge0
Average Mass555.064
Monoisotopic Mass554.22826
SMILES[H][C@@]12[C@@H](O)[C@]3(O)[C@@H](C)C(=O)O[C@@]3([H])[C@@H](Cl)C(=C)/C=C\[C@H](OC(C)=O)[C@@]1(C)[C@H]1O[C@H]1[C@@H](OC(=O)CCCCC)[C@@H]2C
InChIInChI=1S/C28H39ClO9/c1-7-8-9-10-18(31)36-21-14(3)19-23(32)28(34)15(4)26(33)38-24(28)20(29)13(2)11-12-17(35-16(5)30)27(19,6)25-22(21)37-25/h11-12,14-15,17,19-25,32,34H,2,7-10H2,1,3-6H3/b12-11-/t14-,15+,17+,19-,20+,21+,22+,23?,24+,25+,27-,28-/m1/s1
InChIKeyZHRQZDUCHNCZES-HEPSTBCJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(-)-Solenolide A (CHEBI:185861) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(1S,2S,3R,4R,7R,8S,10Z,12S,13S,14R,16S,17S,18R)-12-acetyloxy-8-chloro-2,3-dihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.03,7.014,16]octadec-10-en-17-yl] hexanoate
Manual XrefsDatabases
24531935ChemSpider