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CHEBI:175842 - 12alpha-Hydroxy-13,18-dehydroparain

ChEBI IDCHEBI:175842
ChEBI Name12alpha-Hydroxy-13,18-dehydroparain
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O6
Net Charge0
Average Mass376.449
Monoisotopic Mass376.18859
SMILESC=C1C(O)C(O)C2C3(C)C(=O)C(OC)=CC(C)C3CC3OC(=O)CC1C32C
InChIInChI=1S/C21H28O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9,11-12,14,16-18,23-24H,2,7-8H2,1,3-5H3
InChIKeyCKRHSGZMMGXRKZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
12alpha-Hydroxy-13,18-dehydroparain (CHEBI:175842) is a quassinoid (CHEBI:72485)
IUPAC Name 
15,16-dihydroxy-4-methoxy-2,6,17-trimethyl-14-methylidene-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione
Manual XrefsDatabases
35014820ChemSpider
HMDB0039557HMDB