CHEBI:3382 - Caracurine V

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ChEBI Name Caracurine V
ChEBI ID CHEBI:3382
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C38H40N4O2
C38H40N4O2
Net Charge 0
Average Mass 584.751
Monoisotopic Mass 584.31513
InChI InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1
InChIKey CIRUUTNLDXXBKU-HCKBHOMASA-N
SMILES C=1C=CC=2N3[C@]4([C@]5([C@@]6([H])C[C@@]7(N(CC[C@]47C2C1)CC6=CCO[C@]5(N8[C@@]9([C@]%10(C=%11C=CC=CC%118)[C@@]%12(C[C@@]%13([C@]9([C@]3(OCC=C%13CN%12CC%10)[H])[H])[H])[H])[H])[H])[H])[H])[H]
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Caracurine V (CHEBI:3382) is a alkaloid (CHEBI:22315)
Synonym Source
Caracurine V KEGG COMPOUND
Manual Xrefs Databases
C00001702 KNApSAcK
C09100 KEGG COMPOUND
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Registry Number Type Source
630-87-5 CAS Registry Number KEGG COMPOUND
Last Modified
19 February 2018