input word = C00003373

Metabolite InformationStructural formula
Name Tetraneurin A
Formula C17H22O6
Mw 322.14163844
CAS RN 22621-72-3
C_ID C00003373 ,
InChIKey DKYQYDPTWYXAFT-DFEFDTEGNA-N
InChICode InChI=1S/C17H22O6/c1-9-12-5-4-11(8-22-10(2)18)17(21)7-6-13(19)16(17,3)14(12)23-15(9)20/h11-12,14,21H,1,4-8H2,2-3H3/t11-,12+,14-,16+,17-/m1/s1
SMILES [C@]12([C@]([C@H]3[C@@H](CC[C@@H]1COC(=O)C)C(=C)C(=O)O3)(C(=O)CC2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium alpinum Ref.
PlantaeAsteraceaeParthenium cineraceum Ref.
PlantaeAsteraceaeParthenium confertum Ref.
PlantaeAsteraceaeParthenium fruticosum Ref.
PlantaeAsteraceaeParthenium hispitum Ref.
PlantaeAsteraceaeParthenium hysterophorus Ref.
--family Asteraceae spp. Ref.
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OrganismParthenium cineraceum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51