11-Hydroxytubotaiwine (CHEBI:174590)

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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	11-Hydroxytubotaiwine

ChEBI ID	CHEBI:174590

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H24N2O3

Net Charge

Average Mass

340.423

Monoisotopic Mass

340.17869

InChI

InChI=1S/C20H24N2O3/c1-3-12-13-6-8-22-9-7-20(18(12)22)14-5-4-11(23)10-15(14)21-17(20)16(13)19(24)25-2/h4-5,10,12-13,18,21,23H,3,6-9H2,1-2H3

InChIKey

ILEBWSZOKJHVSX-UHFFFAOYSA-N

SMILES

O(C(=O)C=1C2C(C3N(CCC34C1NC5=C4C=CC(O)=C5)CC2)CC)C

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	11-Hydroxytubotaiwine (CHEBI:174590) is a alkaloid (CHEBI:22315)

IUPAC Name

methyl 18-ethyl-5-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate