Annocherin A (CHEBI:171902)

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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	Annocherin A

ChEBI ID	CHEBI:171902

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C24H38O5

Net Charge

Average Mass

406.563

Monoisotopic Mass

406.27192

InChI

InChI=1S/C24H38O5/c1-16(25)28-14-21(3)9-5-10-22(4)19(21)8-11-23-12-18(6-7-20(22)23)24(27,13-23)15-29-17(2)26/h18-20,27H,5-15H2,1-4H3

InChIKey

OQDCKOUFTOKDOD-UHFFFAOYSA-N

SMILES

OC1(C2CC3(C(C4(C(CC3)C(CCC4)(COC(=O)C)C)C)CC2)C1)COC(=O)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in Pooled sample (NCIT:C45910). See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

ChEBI Ontology
Outgoing	Annocherin A (CHEBI:171902) is a kaurane diterpenoid (CHEBI:53666)

IUPAC Name

[14-(acetyloxymethyl)-14-hydroxy-5,9-dimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate