Cinnzeylanine (CHEBI:172669)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Cinnzeylanine

ChEBI ID	CHEBI:172669

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H34O8

Net Charge

Average Mass

426.506

Monoisotopic Mass

426.22537

InChI

InChI=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

InChIKey

DFYFOAFKHRTQLA-UHFFFAOYSA-N

SMILES

O1C23C4(O)C5(C1(O)CC(C4(O)CC5(O)C(C)C)(C2(O)CCC(C3OC(=O)C)C)C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

ChEBI Ontology
Outgoing	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