input word = C00035060

Metabolite InformationStructural formula
Name beta-Tocotrienol
(-)-beta-Tocotrienol
Formula C28H42O2
Mw 410.31848058
CAS RN 490-23-3
C_ID C00035060 ,
InChIKey FGYKUFVNYVMTAM-QHMILQDONA-N
InChICode InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
SMILES c12c(CC[C@@](O1)(C)CC/C=C(/CC/C=C(\C)/CCC=C(C)C)\C)c(c(cc2C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAmaranthus hypochondriacus L. Ref.
PlantaeApiaceaeCarum carvi L. Ref.
PlantaeApiaceaeFoeniculum vulgare L. Ref.
PlantaeBixaceaeBixa orellana L. Ref.
PlantaeEricaceaeVaccinium macrocarpon Aiton Ref.
PlantaeLabiataeRosmarinus officinalis L. Ref.
PlantaePalmaeCocos nucifera L. Ref.
PlantaePalmaeElaeis guineensis Jacq. Ref.
PlantaePoaceaeAvena sativa L. Ref.
PlantaePoaceaeHordeum vulgare L. Ref.
PlantaePoaceaeOryza sativa L. Ref.
PlantaePoaceaeSecale cereale L. Ref.
PlantaePoaceaeZea mays L. Ref.
PlantaeRanunculaceaeDelphinium ajacis L. Ref.
PlantaeSolanaceaeNicotiana tabacum L. Ref.
PlantaeVitaceaeVitis vinifera L. Ref.
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OrganismBixa orellana L.
ReferenceHorvath,Phytochem.,67,(2006),1185