input word = C00032163

Metabolite InformationStructural formula
Name Sitostanol
beta-Sitostanol
Stigmastanol
Formula C29H52O
Mw 416.40181628
CAS RN 83-45-4
C_ID C00032163 ,
InChIKey LGJMUZUPVCAVPU-MOSOHJMJNA-N
InChICode InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22+,23+,24-,25-,26+,27+,28+,29-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)[C@@H](CC[C@H](C(C)C)CC)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalendula officinalis Ref.
PlantaeAsteraceaeRhaponticum carthamoides Ref.
PlantaeCalycanthaceaeCalycanthus floridus Ref.
PlantaeCombretaceaePteleopsis hylodendron Ref.
PlantaeCucurbitaceaeTrichosanthes kirilowii Ref.
PlantaeCyatheaceaeCyathea podophylla Ref.
PlantaePiperaceaePiper nigrum L. Ref.
PlantaePoaceaeHordeum vulgare L.cv Mammut Ref.
PlantaePoaceaeZea mays Ref.
PlantaeRubiaceaeCoffea canephora Ref.
PlantaeRubiaceaeCoffea charrieriana Ref.
PlantaeRubiaceaeCoffea congensis Ref.
PlantaeRubiaceaeCoffea eugenioides Ref.
PlantaeRubiaceaeCoffea hetero calyx Ref.
PlantaeRubiaceaeCoffea humblotiana Ref.
PlantaeRubiaceaeCoffea humilis Ref.
PlantaeRubiaceaeCoffea kapakata Ref.
PlantaeRubiaceaeCoffea liberica var.dewevrei Ref.
PlantaeRubiaceaeCoffea liberica var.liberica Ref.
PlantaeRubiaceaeCoffea pseudozanguebariae Ref.
PlantaeRubiaceaeCoffea racemosa Ref.
PlantaeRubiaceaeCoffea salvatrix Ref.
PlantaeRubiaceaeCoffea sessiliflora Ref.
PlantaeRubiaceaeCoffea stenophylla Ref.
PlantaeRutaceaeFagara tessmannii Engl. Ref.
--Chattonella marina Ref.
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