input word = C00056529

Metabolite InformationStructural formula
Name Jubanine E
Formula C33H36N4O5
Mw 568.26857029
CAS RN 1159904-43-4
C_ID C00056529
InChIKey NMKDFEHEJKEEQP-ZACIEDAHSA-N
InChICode InChI=1S/C33H36N4O5/c1-34-27(20-23-11-7-4-8-12-23)33(40)37-18-16-29-30(37)32(39)36-26(19-22-9-5-3-6-10-22)31(38)35-17-15-24-21-25(42-29)13-14-28(24)41-2/h3-15,17,21,26-27,29-30,34H,16,18-20H2,1-2H3,(H,35,38)(H,36,39)/b17-15+/t26-,27-,29?,30-/m0/s1
SMILES COC1=CC=C2C=C1/C=C/NC([C@@H](NC([C@@]3(C(CCN3C([C@H](CC4=CC=CC=C4)NC)=O)O2)[H])=O)CC5=CC=CC=C5)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus jujuba Ref.
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OrganismZizyphus jujuba
ReferenceTschesche, R. et al., Phytochemistry, 1976, 15, 541-542 (Jubanine B)