input word = C00028609

Metabolite InformationStructural formula
Name Mucronine D
Formula C37H51N5O6
Mw 661.3839344
CAS RN 38496-00-3
C_ID C00028609 ,
InChIKey POEQHGHIJHCNFK-HTXNQAPBNA-N
InChICode InChI=1S/C37H51N5O6/c1-8-23(3)31-35(44)38-19-17-26-22-27(15-16-29(26)47-7)48-30-18-20-42(33(30)36(45)39-31)37(46)32(24(4)9-2)40-34(43)28(41(5)6)21-25-13-11-10-12-14-25/h10-17,19,22-24,28,30-33H,8-9,18,20-21H2,1-7H3,(H,38,44)(H,39,45)(H,40,43)/b19-17-/t23-,24+,28+,30+,31+,32-,33-/m1/s1
SMILES C1(=O)[C@H]2[C@@H](Oc3cc(/C=C\NC(=O)[C@@H](N1)[C@H](C)CC)c(cc3)OC)CCN2C(=O)[C@@H]([C@H](CC)C)NC(=O)[C@H](Cc1ccccc1)N(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZiziphus mucronata Ref.
PlantaeRhamnaceaeZizyphus jujuba Ref.
PlantaeRhamnaceaeZizyphus jujuba var.inermis Ref.
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