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CHEBI:204624 - Saponaroxin A

ChEBI IDCHEBI:204624
ChEBI NameSaponaroxin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O3
Net Charge0
Average Mass384.560
Monoisotopic Mass384.26645
SMILESC/C1=C/CC/C(C)=C/C[C@@]2(C)C(=O)C3=C([C@@H](C)CO3)[C@@H]2C/C=C(\C)C(O)CC1
InChIInChI=1S/C25H36O3/c1-16-7-6-8-17(2)13-14-25(5)20(11-10-18(3)21(26)12-9-16)22-19(4)15-28-23(22)24(25)27/h7,10,13,19-21,26H,6,8-9,11-12,14-15H2,1-5H3/b16-7-,17-13+,18-10+/t19-,20-,21?,25+/m0/s1
InChIKeyCJJJHTLMMJCBIR-FZOXCPPYSA-N
Species of MetaboliteComponentSourceComments
Alternaria saponariae (ncbitaxon:1342367) - DOI (10.1016/j.tetlet.2016.03.015)
ChEBI Ontology
Outgoing Relation(s)
Saponaroxin A (CHEBI:204624) is a dihydrofuran (CHEBI:51659)
IUPAC Name 
(1R,3E,7Z,12E,15S,17R)-11-hydroxy-1,4,8,12,17-pentamethyl-19-oxatricyclo[13.6.0.016,20]henicosa-3,7,12,16(20)-tetraen-21-one
Manual XrefsDatabases
78437167ChemSpider