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acetylcaranine (CHEBI:2415)

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ChEBI Name acetylcaranine
ChEBI ID CHEBI:2415
Last Modified 02 December 2009
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:583686

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InChI
InChI=1/C18H19NO4/c1-10(20)23-14-3-2-11-4-5-19-8-12-6-15-16(22-9-21-15)7-13(12)17(14)18(11)19/h2,6-7,14,17-18H,3-5,8-9H2,1H3/t14-,17-,18-/m1/s1
InChIKey
InChIKey=SEWQEQSXDGJDGG-ZTFGCOKTBQ
SMILES
[H][C@]12[C@@H](CC=C3CCN(Cc4cc5OCOc5cc14)[C@@]23[H])OC(C)=O
Formula Source
C18H19NO4 KEGG COMPOUND
Charge 0
Mass 313.34780
ChEBI Ontology
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Outgoing acetylcaranine (CHEBI:2415) has functional parent caranine (CHEBI:3383)
acetylcaranine (CHEBI:2415) is a acetate ester (CHEBI:47622)
IUPAC Names
(1R,12bS,12cS)-1,2,4,5,12b,12c-hexahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1-yl acetate
1α-acetoxy-9,10-methylenedioxygalanth-3(12)-ene
Synonym Source
Acetylcaranine KEGG COMPOUND
Database Links Databases
C08513 KEGG COMPOUND
583686 ChEMBL
Registry Number Type Source
14383-07-4 CAS Registry Number KEGG COMPOUND

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