input word = C00048805

Metabolite InformationStructural formula
Name Pachychaline A
Formula C54H100N4
Mw 804.79479922
CAS RN 1030879-10-7
C_ID C00048805 ,
InChIKey WNWHSSCIOFUWPK-UHFFFAOYSA-N
InChICode InChI=1S/C54H100N4/c55-45-35-29-23-17-11-5-1-3-7-13-19-25-31-37-47-57-49-39-43-53(51-57)41-33-27-21-15-9-10-16-22-28-34-42-54-44-40-50-58(52-54)48-38-32-26-20-14-8-4-2-6-12-18-24-30-36-46-56/h39-40,43-44,49-52H,1-38,41-42,45-48,55-56H2
SMILES c1(CCCCCCCCCCCCc2cn(ccc2)CCCCCCCCCCCCCCCCN)cccn(c1)CCCCCCCCCCCCCCCCN
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pachychalina sp. Ref.
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OrganismPachychalina sp.
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165