input word = C00017402

Metabolite InformationStructural formula
Name S-Petasitolide A
Formula C19H26O4S
Mw 350.15518005
CAS RN 5986-68-5
C_ID C00017402 ,
InChIKey HFDMONMBQKMBPO-UHFFFAOYNA-N
InChICode InChI=1S/C19H26O4S/c1-11-14-10-19(3)12(2)15(22-17(20)7-8-24-4)6-5-13(19)9-16(14)23-18(11)21/h7-8,12-13,15-16H,5-6,9-10H2,1-4H3/b8-7+/t12-,13-,15+,16-,19-/m0/s1
SMILES C1[C@H]([C@@H]([C@]2([C@@H](C1)C[C@H]1C(=C(C(=O)O1)C)C2)C)C)OC(=O)/C=C/SC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites officianalis Ref.
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