input word = C00057593

Metabolite InformationStructural formula
Name Nigramide N
Formula C31H44N2O4
Mw 508.33010791
CAS RN 847552-95-8
C_ID C00057593
InChIKey IQEDQEFKHVXVLW-LDOJEKBXSA-N
InChICode InChI=1S/C31H44N2O4/c1-4-5-6-7-9-12-25-26(31(35)33-17-10-8-11-18-33)15-14-24(29(25)30(34)32-20-22(2)3)23-13-16-27-28(19-23)37-21-36-27/h9,12-16,19,22,24-26,29H,4-8,10-11,17-18,20-21H2,1-3H3,(H,32,34)/b12-9+/t24-,25-,26-,29-/m1/s1
SMILES CCCCC/C=C/[C@H]1[C@H](C(=O)NCC(C)C)[C@@H](c2ccc3c(c2)OCO3)C=C[C@H]1C(=O)N1CCCCC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePiperaceaePiper nigrum Ref.
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OrganismPiper nigrum
ReferenceWei, K. et al., JOC, 2005, 70, 1164-1176 (isol, pmr, cmr)