input word = C00003757

Metabolite InformationStructural formula
Name Taraxasterol
Formula C30H50O
Mw 426.38616622
CAS RN 1059-14-9
C_ID C00003757 ,
InChIKey XWMMEBCFHUKHEX-YGMQHXGNNA-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/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@@](CC2)(CCC(=C)[C@H]1C)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnthemis nobilis Ref.
PlantaeAsteraceaeEupatorium cannabinum Ref.
PlantaeAsteraceaeInula britannica Ref.
PlantaeAsteraceaeInula britannica var.chinensis Ref.
PlantaeAsteraceaeInula japonica Ref.
PlantaeAsteraceaeSaussurea lappa Ref.
PlantaeAsteraceaeScorzonera cretica Ref.
PlantaeAsteraceaeSenecio chionophilus Ref.
PlantaeAsteraceaeSonchus arvensis Ref.
PlantaeAsteraceaeTaraxacum mongolicum Ref.
PlantaeAsteraceaeTaraxacum officinale Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeEuphorbiaceaeEuphorbia tirucalli Ref.
PlantaePlumbaginaceaePlumbago zeylanica Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
--Aegopordon berarioides Ref.
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OrganismInula britannica
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)