input word = C00057587

Metabolite InformationStructural formula
Name Nigramide H
Formula C30H42N2O4
Mw 494.31445784
CAS RN 847552-89-0
C_ID C00057587
InChIKey AHFQFVFWNGHIOJ-YRLQWRJRSA-N
InChICode InChI=1S/C30H42N2O4/c1-2-3-6-11-22-12-14-24(29(33)31-16-7-4-8-17-31)27(23-13-15-25-26(20-23)36-21-35-25)28(22)30(34)32-18-9-5-10-19-32/h12-15,20,22,24,27-28H,2-11,16-19,21H2,1H3/t22-,24-,27+,28+/m0/s1
SMILES O=C([C@@H]1[C@]([H])([C@H](C(N2CCCCC2)=O)[C@@H](CCCCC)C=C1)C3=CC4=C(C=C3)OCO4)N5CCCCC5
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePiperaceaePiper nigrum Ref.
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