Spinosine (CHEBI:191167)

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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	Spinosine

ChEBI ID	CHEBI:191167

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H21NO4

Net Charge

Average Mass

327.380

Monoisotopic Mass

327.14706

InChI

InChI=1S/C19H21NO4/c1-23-18-8-11-3-4-20-10-13-7-17(22)16(21)6-12(13)5-15(20)14(11)9-19(18)24-2/h6-9,15,21-22H,3-5,10H2,1-2H3/t15-/m0/s1

InChIKey

VAKIESMDOCVMDV-HNNXBMFYSA-N

SMILES

O(C=1C=C2[C@]3(N(CCC2=CC1OC)CC=4C(C3)=CC(O)=C(O)C4)[H])C

Metabolite of Species	Details
Rattus norvegicus (NCBI:txid10116)	Found in INS-1 cell (BTO:0002135). See: MetaboLights Study

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	Spinosine (CHEBI:191167) is a alkaloid (CHEBI:22315)

IUPAC Name

(13aS)-2,3-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-10,11-diol

Registry Number	Type	Source
175274-51-8	CAS Registry Number	ChemIDplus