input word = C00035375

Metabolite InformationStructural formula
Name Pseudotaraxasterol
psi-Taraxasterol
Formula C30H50O
Mw 426.38616622
CAS RN 464-98-2
C_ID C00035375 ,
InChIKey NGFFRJBGMSPDMS-HJUUTUBNNA-N
InChICode InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h11,20-25,31H,9-10,12-18H2,1-8H3/t20-,21-,22+,23-,24+,25-,27-,28+,29-,30-/m1/s1
SMILES CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalendula officinalis Ref.
PlantaeAsteraceaePetasites tricholobus Ref.
PlantaeAsteraceaeSonchus arvensis Ref.
PlantaeAsteraceaeTaraxacum officinal Ref.
PlantaeAsteraceaeTaraxacum officinale Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaePlumbaginaceaePlumbago zeylanica Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
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OrganismSonchus arvensis
ReferenceHooper et al.,Lipids,17,(1982),60-63