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CHEBI:212760 - Sonomolide A

ChEBI IDCHEBI:212760
ChEBI NameSonomolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC=C[C@@H]1C(=C)CC[C@H]2[C@H]1C[C@H]1OC(=O)[C@@]3(C)[C@@H](O)CC[C@@]2(C)[C@@]13O
InChIInChI=1S/C20H28O4/c1-5-12-11(2)6-7-14-13(12)10-16-20(23)18(14,3)9-8-15(21)19(20,4)17(22)24-16/h5,12-16,21,23H,1-2,6-10H2,3-4H3/t12-,13+,14+,15+,16-,18-,19-,20+/m1/s1
InChIKeyIRMOTGCMHMASFO-IQDQMAIWSA-N
ChEBI Ontology
Outgoing Relation(s)
Sonomolide A (CHEBI:212760) is a steroid lactone (CHEBI:26766)
IUPAC Name 
(1R,2S,6S,7R,9R,12S,13S,16S)-6-ethenyl-13,16-dihydroxy-1,12-dimethyl-5-methylidene-10-oxatetracyclo[7.6.1.02,7.012,16]hexadecan-11-one
Manual XrefsDatabases
409606ChemSpider