Heterotropan (CHEBI:191620)

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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	Heterotropan

ChEBI ID	CHEBI:191620

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C24H32O6

Net Charge

Average Mass

416.514

Monoisotopic Mass

416.21989

InChI

InChI=1S/C24H32O6/c1-13-14(2)24(16-10-20(28-6)22(30-8)12-18(16)26-4)23(13)15-9-19(27-5)21(29-7)11-17(15)25-3/h9-14,23-24H,1-8H3

InChIKey

WCERJEZPIONOJU-UHFFFAOYSA-N

SMILES

O(C=1C(C2C(C(C2C)C)C=3C(OC)=CC(OC)=C(OC)C3)=CC(OC)=C(OC)C1)C

Metabolite of Species	Details
Ulmus parvifolia (NCBI:txid63058)	Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058)	Found in seed (BTO:0001226). See: MetaboLights Study

ChEBI Ontology
Outgoing	Heterotropan (CHEBI:191620) is a lignan (CHEBI:25036)

IUPAC Name

1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene

Registry Number	Type	Source
73036-51-8	CAS Registry Number	ChemIDplus