input word = C00017400

Metabolite InformationStructural formula
Name Petasitolide A
Formula C20H28O4
Mw 332.19875938
CAS RN 5986-66-3
C_ID C00017400 ,
InChIKey XXBKFKJZAXTGFB-UHFFFAOYNA-N
InChICode InChI=1S/C20H28O4/c1-6-11(2)18(21)23-16-8-7-14-9-17-15(12(3)19(22)24-17)10-20(14,5)13(16)4/h6,13-14,16-17H,7-10H2,1-5H3/b11-6+/t13-,14+,16+,17-,20+/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/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites albus Ref.
PlantaeAsteraceaePetasites officianalis Ref.
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