CHEBI:80819 - Disinomenine

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ChEBI Name Disinomenine
ChEBI ID CHEBI:80819
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C38H44N2O8
Net Charge 0
Average Mass 656.76460
Monoisotopic Mass 656.30977
InChI InChI=1S/C38H44N2O8/c1-39-9-7-37-17-27(41)29(45-3)15-23(37)25(39)11-21-19(13-31(47-5)35(43)33(21)37)20-14-32(48-6)36(44)34-22(20)12-26-24-16-30(46-4)28(42)18-38(24,34)8-10-40(26)2/h13-16,23-26,43-44H,7-12,17-18H2,1-6H3/t23-,24-,25+,26+,37-,38-/m1/s1
InChIKey AXVVWZONCVUAPP-QULPKBGFSA-N
SMILES COC1=C[C@@H]2[C@@H]3Cc4c(cc(OC)c(O)c4[C@]2(CCN3C)CC1=O)-c1cc(OC)c(O)c2c1C[C@H]1[C@H]3C=C(OC)C(=O)C[C@@]23CCN1C
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 Disinomenine (CHEBI:80819) is a morphinane alkaloid (CHEBI:25418)
Synonym Source
Bisinomenine KEGG COMPOUND
Manual Xref Database
C16954 KEGG COMPOUND
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