chelirubine
Chemical Formula:
C21H16NO5
Molecular Weight:
362.361 Daltons
Monoisotopic Mass:
362.1028476293 Daltons
SMILES:
C[N+]2(=CC5(=C6(OCOC(=CC(OC)=C(C1(C=CC3(C=C4(OCOC(=CC(C=12)=3)4))))5)6)))
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
InChIKey:
Databases
MetaCyc:
CPD-9893
MetaboLights:
MTBLC17031
ChemSpider:
141643
PubChem (CID):
161243
KEGG:
C06327
ChEBI:
17031
RefMet:
Chelirubine
Seed:
cpd03768
MetaNetX:
MNXM4518