input word = C00057598

Metabolite InformationStructural formula
Name Nigramide S
Formula C36H40N2O6
Mw 596.28863702
CAS RN 847553-00-8
C_ID C00057598
InChIKey UUGAYUWHUOLBOI-TVRAGXRHSA-N
InChICode InChI=1S/C36H40N2O6/c39-35(37-17-5-1-6-18-37)33-27(10-4-3-9-25-12-15-29-31(21-25)43-23-41-29)28(34(33)36(40)38-19-7-2-8-20-38)14-11-26-13-16-30-32(22-26)44-24-42-30/h3-4,9-16,21-22,27-28,33-34H,1-2,5-8,17-20,23-24H2/b9-3+,10-4+,14-11+/t27-,28-,33+,34+/m1/s1
SMILES O=C([C@H]1[C@H](/C=C/C=C/c2ccc3c(c2)OCO3)[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H]1C(=O)N1CCCCC1)N1CCCCC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePiperaceaePiper nigrum Ref.
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