cyclo-dopa glucuronosyl glucoside
Chemical Formula:
C21H25NO15
Molecular Weight:
531.426 Daltons
Monoisotopic Mass:
533.1380692034 Daltons
SMILES:
C(C3(C(C(C(C(OC1(=CC2(CC(NC(C=C1O)=2)C([O-])=O)))O3)OC4(C(C(C(C(O4)C([O-])=O)O)O)O))O)O))O
InChI:
1S/C21H27NO15/c23-4-10-11(25)13(27)17(37-20-15(29)12(26)14(28)16(36-20)19(32)33)21(35-10)34-9-2-5-1-7(18(30)31)22-6(5)3-8(9)24/h2-3,7,10-17,20-29H,1,4H2,(H,30,31)(H,32,33)/p-2/t7-,10+,11+,12-,13-,14-,15+,16-,17+,20-,21+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-8657
PubChem (CID):
122706642
Seed:
cpd17849
ChEBI:
81317
MetaNetX:
MNXM6228
KEGG:
C17752