input word = C00037564

Metabolite InformationStructural formula
Name Nummularine H
(-)-Nummularine H
Formula C39H47N5O6
Mw 681.35263427
CAS RN 64309-23-5
C_ID C00037564 ,
InChIKey SNWHKTIWFKSSGY-ZUKVNHGXNA-N
InChICode InChI=1S/C39H47N5O6/c1-5-25(2)34-37(46)41-20-18-28-24-29(16-17-32(28)49-4)50-33-19-21-44(35(33)38(47)43-34)39(48)31(23-27-14-10-7-11-15-27)42-36(45)30(40-3)22-26-12-8-6-9-13-26/h6-18,20,24-25,30-31,33-35,40H,5,19,21-23H2,1-4H3,(H,41,46)(H,42,45)(H,43,47)/b20-18+/t25-,30+,31+,33+,34+,35+/m1/s1
SMILES CC[C@@H](C)C1NC(=O)[C@@H]2[C@H](CCN2C(=O)C(Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC)Oc2ccc(OC)c(c2)/C=C/NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaePaliurus ramossisimus Ref.
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