input word = C00057592

Metabolite InformationStructural formula
Name Nigramide M
Formula C31H42N2O4
Mw 506.31445784
CAS RN 847552-94-7
C_ID C00057592
InChIKey VUFKHUAQGORHEN-UXTVBOLNSA-N
InChICode InChI=1S/C31H42N2O4/c1-2-3-5-10-25-26(14-16-30(34)32-17-8-9-18-32)24(23-11-15-28-29(21-23)37-22-36-28)12-13-27(25)31(35)33-19-6-4-7-20-33/h11-16,21,24-27H,2-10,17-20,22H2,1H3/b16-14+/t24-,25-,26+,27-/m0/s1
SMILES [H][C@@](C1=CC2=C(C=C1)OCO2)(C=C[C@H](C(N3CCCCC3)=O)[C@H]4CCCCC)[C@H]4/C=C/C(N5CCCC5)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePiperaceaePiper nigrum Ref.
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