input word = C00050185

Metabolite InformationStructural formula
Name Petasinol
(+)-Petasinol
Formula C19H28O4S
Mw 352.17083011
CAS RN 211691-01-9
C_ID C00050185 ,
InChIKey OVLGYAHWOSBKJJ-DFXLNZJZNA-N
InChICode InChI=1S/C19H28O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,15-17,20H,1,6-7,11H2,2-5H3/b9-8+/t13-,15-,16+,17+,19+,24+/m0/s1
SMILES C=C(C)[C@@H]1C[C@@]2(C)C(=C[C@H]1O)CC[C@@H](OC(=O)/C=C/S(C)=O)[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites formosanus Ref.
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