Holarrhidine (CHEBI:229140)

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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	Holarrhidine

ChEBI ID	CHEBI:229140

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H36N2O

Net Charge

Average Mass

332.532

Monoisotopic Mass

332.28276

InChI

InChI=1S/C21H36N2O/c1-13(22)17-5-6-19-16-4-3-14-11-15(23)7-9-20(14,2)18(16)8-10-21(17,19)12-24/h3,13,15-19,24H,4-12,22-23H2,1-2H3

InChIKey

ZCBATDUBXUJVRC-UHFFFAOYSA-N

SMILES

OCC12C(C3C(C4(C(=CC3)CC(N)CC4)C)CC1)CCC2C(N)C

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome See: MetaboLights Study

ChEBI Ontology
Outgoing	Holarrhidine (CHEBI:229140) has parent hydride pregnane (CHEBI:8386) Holarrhidine (CHEBI:229140) is a steroid (CHEBI:35341)

IUPAC Name

[3-amino-17-(1-aminoethyl)-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methanol