input word = C00017015

Metabolite InformationStructural formula
Name S-Japonin
Formula C19H28O3S
Mw 336.17591549
CAS RN 36031-35-3
C_ID C00017015 ,
InChIKey HDHDUJDLKYTRAS-BEFBFDKINA-N
InChICode InChI=1S/C19H28O3S/c1-12(2)16-11-19(4)13(3)8-15(9-14(19)10-17(16)20)22-18(21)6-7-23-5/h6-7,13-15H,8-11H2,1-5H3/b7-6-/t13-,14+,15+,19+/m0/s1
SMILES C1[C@H](C[C@H]2[C@@]([C@H]1C)(CC(=C(C)C)C(=O)C2)C)OC(=O)/C=C\SC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites japonicus Ref.
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