input word = C00000775

Metabolite InformationStructural formula
Name Thiamine
Thiamin
Vitamin B1
Formula C12H17N4OS
Mw 265.11230692
CAS RN 59-43-8
C_ID C00000775 ,
InChIKey JZRWCGZRTZMZEH-UHFFFAOYSA-N
InChICode InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
SMILES c1(ncc(c(n1)N)C[n+]1c(c(sc1)CCO)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeCordyceps sinensis Ref.
PlantaeAmaranthaceaeCelosia cristada Ref.
PlantaeAraliaceaePanax ginseng Ref.
PlantaeElaeagnaceaeHippophae rhamnoides Ref.
PlantaeFabaceaeTrigonella foenum-graecum Ref.
PlantaeLabiataePerilla frutescens var.arguta Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeMyrtaceaeSyzygium cumini Ref.
PlantaePoaceaePhragmites communis Ref.
PlantaeRhamnaceaeZiziphus jujuba Ref.
PlantaeSolanaceaeLycium chinense Ref.
--- Ref.
--FOOD SAKE Ref.
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