input word = C00007322

Metabolite InformationStructural formula
Name delta7-Avenasterol
Formula C29H48O
Mw 412.37051615
CAS RN 23290-26-8
C_ID C00007322 ,
InChIKey MCWVPSBQQXUCTB-XQXVWGHCNA-N
InChICode InChI=1S/C29H48O/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/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22-,23+,25+,26-,27-,28+,29-/m1/s1
SMILES C1[C@@H](C[C@@H]2[C@](C1)([C@H]1C(=CC2)[C@@H]2[C@](CC1)([C@@H](CC2)[C@@H](CC/C(=C/C)/C(C)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaePoaceaeOryza sativa 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.
PlantaeSolanaceaeNicotiana benthamiana Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
--Caffea sp. Ref.
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OrganismCoffea humblotiana
ReferenceDussert,Phytochem.,69,(2008),2950