input word = C00027401

Metabolite InformationStructural formula
Name Jubanine C
Formula C39H47N5O5
Mw 665.35771965
CAS RN 159226-00-3
C_ID C00027401 ,
InChIKey JMILOTKBOBTKBB-GHVJWSGMNA-N
InChICode InChI=1S/C39H47N5O5/c1-5-26(2)34(43(3)4)39(48)44-24-12-17-32(44)37(46)42-33-35(29-15-10-7-11-16-29)49-30-20-18-27(19-21-30)22-23-40-36(45)31(41-38(33)47)25-28-13-8-6-9-14-28/h6-11,13-16,18-23,26,31-35H,5,12,17,24-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b23-22+/t26-,31-,32-,33-,34+,35-/m1/s1
SMILES CCC(C)C(C(=O)N1CCCC1C(=O)NC1C(=O)NC(Cc2ccccc2)C(=O)N/C=C/c2ccc(cc2)OC1c1ccccc1)N(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus jujuba Ref.
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