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CHEBI:175841 - 11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide

ChEBI IDCHEBI:175841
ChEBI Name11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O6
Net Charge0
Average Mass376.449
Monoisotopic Mass376.18859
SMILESCOC1c2c(O)c(C(C)C)c(O)c(O)c2C23CCCC(C)(C)C2C1OC3=O
InChIInChI=1S/C21H28O6/c1-9(2)10-13(22)11-12(15(24)14(10)23)21-8-6-7-20(3,4)18(21)17(16(11)26-5)27-19(21)25/h9,16-18,22-24H,6-8H2,1-5H3
InChIKeyLBJNLIBZUVWVTE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide (CHEBI:175841) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
3,4,6-trihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one
Manual XrefsDatabases
HMDB0031932HMDB
35013416ChemSpider