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CHEBI:172669 - Cinnzeylanine

ChEBI IDCHEBI:172669
ChEBI NameCinnzeylanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O8
Net Charge0
Average Mass426.506
Monoisotopic Mass426.22537
SMILESCC(=O)OC1C(C)CCC2(O)C3(C)CC4(O)OC12C1(O)C3(O)CC(O)(C(C)C)C41C
InChIInChI=1S/C22H34O8/c1-11(2)17(24)10-19(26)15(5)9-20(27)16(17,6)22(19,28)21(30-20)14(29-13(4)23)12(3)7-8-18(15,21)25/h11-12,14,24-28H,7-10H2,1-6H3
InChIKeyDFYFOAFKHRTQLA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Cinnzeylanine (CHEBI:172669) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(6,9,11,13,14-pentahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-2-yl) acetate
Manual XrefsDatabases
HMDB0036011HMDB
35014064ChemSpider