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chelirubine

Properties

Image

Occurences in reactions

MNX_ID

MNXM4518

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₁H₁₆NO₅

charge

mass

362.1023

reference

InChIKey

RNSBFHHWMMKJAM-UHFFFAOYSA-N

InChI

InChI=1S/C21H16NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-8H,9-10H2,1-2H3/q+1

SMILES

COc1cc2c(c3c[n+](C)c4c5cc6c(cc5ccc4c13)OCO6)OCO2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17031 chebi:17031	chelirubine 5-methoxy-13-methyl-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium Chelirubine
kegg.compound:C06327 keggC:C06327	Chelirubine
seed.compound:cpd03768 seedM:cpd03768	Chelirubine chelirubine
metacyc.compound:CPD-9893 metacycM:CPD-9893	chelirubine
chebi:13959 chebi:3587 keggC:M_C06327 seedM:M_cpd03768	secondary/obsolete/fantasy identifier