Cryptocaryone (CHEBI:184734)

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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	Cryptocaryone

ChEBI ID	CHEBI:184734

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H14O4

Net Charge

Average Mass

282.295

Monoisotopic Mass

282.08921

InChI

InChI=1S/C17H14O4/c18-13(7-6-11-4-2-1-3-5-11)17-12-10-16(20)21-15(12)9-8-14(17)19/h1-9,12,15,18H,10H2/b7-6+,17-13-/t12-,15-/m0/s1

InChIKey

PTLQMLWEJRHXDU-VHIARPGFSA-N

SMILES

O1[C@@]2([C@](CC1=O)(\C(\C(=O)C=C2)=C(\O)/C=C/C3=CC=CC=C3)[H])[H]

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	Cryptocaryone (CHEBI:184734) is a benzofurans (CHEBI:35259)

IUPAC Name

(3aR,4Z,7aS)-4-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-3a,7a-dihydro-3H-1-benzouran-2,5-dione