Calocarpin (CHEBI:189494)

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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	Calocarpin

ChEBI ID	CHEBI:189494

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H20O4

Net Charge

Average Mass

324.376

Monoisotopic Mass

324.13616

InChI

InChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-18(9-17(12)22)23-10-16-14-6-5-13(21)8-19(14)24-20(15)16/h3,5-9,16,20-22H,4,10H2,1-2H3

InChIKey

CYXCYFYWIZXENQ-UHFFFAOYSA-N

SMILES

O1C2C(C3=C1C=C(O)C=C3)COC4=C2C=C(C(O)=C4)CC=C(C)C

Metabolite of Species	Details
Oryza sativa (NCBI:txid4530)	Found in leaf sheath (BTO:0005094). See: MetaboLights Study

ChEBI Ontology
Outgoing	Calocarpin (CHEBI:189494) is a pterocarpans (CHEBI:26377)

IUPAC Name

2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromene-3,9-diol