input word = C00056753

Metabolite InformationStructural formula
Name Lyciumin B
Formula C44H52N10O11
Mw 896.38170258
CAS RN 125756-66-3
C_ID C00056753
InChIKey BWRVBFMWWHWLBW-UHFFFAOYSA-N
InChICode InChI=1S/C44H52N10O11/c1-22(2)36-41(61)46-19-35(57)48-31(21-55)39(59)50-30(44(64)65)17-24-20-54(32-11-6-4-9-26(24)32)37(42(62)51-36)52-38(58)29(16-23-18-45-27-10-5-3-8-25(23)27)49-40(60)33-12-7-15-53(33)43(63)28-13-14-34(56)47-28/h3-6,8-11,18,20,22,28-31,33,36-37,45,55H,7,12-17,19,21H2,1-2H3,(H,46,61)(H,47,56)(H,48,57)(H,49,60)(H,50,59)(H,51,62)(H,52,58)(H,64,65)
SMILES O=C(NC(CC1=CNC2=C1C=CC=C2)C(NC(N3C4=C(C=CC=C4)C(CC(C(O)=O)NC(C(CO)NC(CNC5=O)=O)=O)=C3)C(NC5C(C)C)=O)=O)C(CCC6)N6C(C(CC7)NC7=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeLycium chinense Ref.
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OrganismLycium chinense
ReferenceYahara, S. et al., Tet. Lett., 1989, 30, 6041 (isol)