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 c1cc2ccc1O[C@@H]([C@@H](NC(=O)[C@@H]1N(CCC1)C(=O)[C@@H](N(C)C)[C@@H](CC)C)C(=O)N[C@@H](C(=O)N/C=C/2)Cc1ccccc1)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus jujuba Ref.
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