CHEBI:5996 - Isochondrodendrine

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ChEBI Name Isochondrodendrine
ChEBI ID CHEBI:5996
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C36H38N2O6
Net Charge 0
Average Mass 594.698
Monoisotopic Mass 594.27299
InChI InChI=1S/C36H38N2O6/c1-37-15-13-23-19-29(41-3)33(39)35-31(23)27(37)17-21-5-9-26(10-6-21)44-36-32-24(20-30(42-4)34(36)40)14-16-38(2)28(32)18-22-7-11-25(43-35)12-8-22/h5-12,19-20,27-28,39-40H,13-18H2,1-4H3/t27-,28-/m1/s1
InChIKey XIOGHHPVBVXQIV-VSGBNLITSA-N
SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(Oc5c(O)c(OC)cc6CCN(C)[C@H](Cc7ccc(Oc(c1O)c23)cc7)c56)cc4
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 Isochondrodendrine (CHEBI:5996) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Isochondrodendrine (CHEBI:5996) is a isoquinolines (CHEBI:24922)
Synonym Source
Isochondrodendrine KEGG COMPOUND
Manual Xrefs Databases
C00001870 KNApSAcK
C09543 KEGG COMPOUND
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Registry Number Type Source
477-62-3 CAS Registry Number KEGG COMPOUND
Last Modified
12 August 2016