input word = C00002868

Metabolite InformationStructural formula
Name Phylloquinone
trans-Phylloquinone
Vitamin K1(20)
Vitamin K1
Formula C31H46O2
Mw 450.34978071
CAS RN 84-80-0
C_ID C00002868 ,
InChIKey MBWXNTAXLNYFJB-CCNXOCMANA-N
InChICode InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
SMILES c12c(C(=O)C(=C(C1=O)C)C/C=C(/CCC[C@@H](CCC[C@H](C)CCCC(C)C)C)\C)cccc2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBrassica oleracea var. italica Ref.
PlantaeElaeagnaceaeHippophae rhamnoides Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFagaceaeCastanea sativa Ref.
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OrganismArabidopsis thaliana
ReferenceGhassemian,Phytochem.,69,(2008),2899