input word = C00021164

Metabolite InformationStructural formula
Name Isochiapin B
Formula C19H26O6
Mw 350.17293856
CAS RN 102607-34-1
C_ID C00021164 ,
InChIKey QKUZBNBDSGKJEJ-MRPZNWSINA-N
InChICode InChI=1S/C19H26O6/c1-10(2)16(21)24-9-18-14(20)7-8-19(18,23)11(3)5-6-13-12(4)17(22)25-15(13)18/h10-11,13,15,23H,4-9H2,1-3H3/t11-,13-,15+,18-,19+/m0/s1
SMILES [C@]12([C@]([C@H]3[C@@H](CC[C@@H]1C)C(=C)C(=O)O3)(C(=O)CC2)COC(=O)C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium fruticosum Ref.
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OrganismParthenium fruticosum
ReferenceOrtega,Phytochem.,49,(1986),699