input word = C00035375

Metabolite InformationStructural formula
Name Pseudotaraxasterol
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 C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@@H]1[C@@](CC2)(CC=C([C@H]1C)C)C)C)C)C)(C)C)O
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.
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