CHEBI:8836 - Rhoeadine

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ChEBI Name Rhoeadine
ChEBI ID CHEBI:8836
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H21NO6
Net Charge 0
Average Mass 383.395
Monoisotopic Mass 383.13689
InChI InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1
InChIKey XRBIHOLQAKITPP-SBHAEUEKSA-N
SMILES CO[C@H]1O[C@H]2[C@H](N(C)CCc3cc4OCOc4cc23)c2ccc3OCOc3c12
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 )
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ChEBI Ontology
Outgoing Rhoeadine (CHEBI:8836) is a alkaloid (CHEBI:22315)
Synonym Source
Rhoeadine KEGG COMPOUND
Manual Xrefs Databases
C00001911 KNApSAcK
C09619 KEGG COMPOUND
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Registry Number Type Source
2718-25-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014