input word = C00057589

Metabolite InformationStructural formula
Name Nigramide J
Formula C30H42N2O4
Mw 494.31445784
CAS RN 847552-91-4
C_ID C00057589
InChIKey XNDMTCOUTFTPFJ-SSVAKIOMSA-N
InChICode InChI=1S/C30H42N2O4/c1-2-3-6-11-22-12-14-24(29(33)31-16-7-4-8-17-31)28(30(34)32-18-9-5-10-19-32)27(22)23-13-15-25-26(20-23)36-21-35-25/h12-15,20,22,24,27-28H,2-11,16-19,21H2,1H3/t22-,24+,27+,28-/m1/s1
SMILES CCCCC[C@@H]1C=C[C@H](C(=O)N2CCCCC2)[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePiperaceaePiper nigrum Ref.
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