input word = C00045547

Metabolite InformationStructural formula
Name 2-Methoxyoctadecanoic acid
Formula C19H38O3
Mw 314.28209508
CAS RN 340156-65-2
C_ID C00045547 ,
InChIKey IRFCIZSKPMLDRJ-UHFFFAOYNA-N
InChICode InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(22-2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)/t18-/m1/s1
SMILES CCCCCCCCCCCCCCCCC(OC)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Callyspongia fallax Ref.
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OrganismCallyspongia fallax
ReferenceCarballeira,J.Nat.Prod.,64,(2001),620