input word = C00048803

Metabolite InformationStructural formula
Name Neurymenolide B
Formula C26H36O3
Mw 396.26644502
CAS RN 1086469-32-0
C_ID C00048803 ,
InChIKey OVLVNOZTXBSSJU-LQSLFFCENA-N
InChICode InChI=1S/C26H36O3/c1-2-3-4-12-15-18-22-19-16-13-10-8-6-5-7-9-11-14-17-20-23-21-24(27)25(22)26(28)29-23/h3-4,8,10,15-16,18-19,21-22,27H,2,5-7,9,11-14,17,20H2,1H3/b4-3-,10-8-,18-15+,19-16-/t22-/m0/s1
SMILES C\1=C\CCCCCCCCc2oc(=O)c([C@H](/C=C\C1)/C=C/C/C=C\CC)c(c2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Neurymenia fraxinifolia Ref.
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OrganismNeurymenia fraxinifolia
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165