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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OrganismHippophae rhamnoides
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)