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
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBrassica oleracea var. italica Ref.
PlantaeElaeagnaceaeHippophae rhamnoides Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFagaceaeCastanea sativa Ref.
PlantaeLabiataePerilla frutescens Ref.
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OrganismSpinacia oleracea
Referencehttps://doi.org/10.1016/0005-2736(81)90572-1