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CHEBI:175266 - Anhydrocinnzeylanine

ChEBI IDCHEBI:175266
ChEBI NameAnhydrocinnzeylanine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O7
Net Charge0
Average Mass408.491
Monoisotopic Mass408.21480
SMILESCC(=O)OC1C(C)CCC2(O)C3(C)CC(=O)OC12C1(O)C(C)=C(C(C)C)CC31O
InChIInChI=1S/C22H32O7/c1-11(2)15-9-20(26)18(6)10-16(24)29-22(21(20,27)13(15)4)17(28-14(5)23)12(3)7-8-19(18,22)25/h11-12,17,25-27H,7-10H2,1-6H3
InChIKeyUEXGXCDLLOHGAS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Anhydrocinnzeylanine (CHEBI:175266) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(2,6,8-trihydroxy-3,7,11-trimethyl-14-oxo-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-12-yl) acetate
Manual XrefsDatabases
HMDB0036864HMDB
35014281ChemSpider