input word = C00002105

Metabolite InformationStructural formula
Name Petasitenine
Formula C19H27NO7
Mw 381.17875222
CAS RN 60102-37-6
C_ID C00002105 ,
InChIKey CZQLULNMKQAIQL-MIOLPEAINA-N
InChICode InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14-,18-,19-/m1/s1
SMILES C1(=O)C2=CCN(CC[C@H]1OC(=O)[C@@]1(C[C@H]([C@@](C(=O)OC2)(C)O)C)[C@@H](C)O1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites hybridus Ref.
PlantaeAsteraceaePetasites japonicus Ref.
PlantaeAsteraceaePetasites officinalis Ref.
PlantaeAsteraceaePittocaulon bombycophole Ref.
PlantaeAsteraceaePittocaulon hintonii Ref.
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OrganismPetasites japonicus
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter26