input word = C00002007

Metabolite InformationStructural formula
Name Pandamine
Formula C31H44N4O5
Mw 552.33117054
CAS RN 10233-81-5
C_ID C00002007 ,
InChIKey STKZKAJIJHJDCQ-YWNBJSEMNA-N
InChICode InChI=1S/C31H44N4O5/c1-7-20(4)27(35(5)6)31(39)34-26-28(19(2)3)40-23-15-13-22(14-16-23)25(36)18-32-29(37)24(33-30(26)38)17-21-11-9-8-10-12-21/h8-16,19-20,24-28,36H,7,17-18H2,1-6H3,(H,32,37)(H,33,38)(H,34,39)/t20-,24-,25-,26-,27-,28-/m0/s1
SMILES c12ccc(cc1)[C@H](CNC(=O)[C@@H](NC(=O)[C@H]([C@@H](O2)C(C)C)NC(=O)[C@@H](N(C)C)[C@H](CC)C)Cc1ccccc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaePandaceaePanda oleosa Ref.
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