input word = C00021119

Metabolite InformationStructural formula
Name Kingiolide
Formula C19H22O6
Mw 346.14163844
CAS RN 79421-62-8
C_ID C00021119 ,
InChIKey LTQJPCKNKATGFQ-MMTARASGNA-N
InChICode InChI=1S/C19H22O6/c1-9-7-13-15(11(3)18(23)24-13)16(25-17(22)10(2)8-20)19(4)12(9)5-6-14(19)21/h5-6,9,12-13,15-16,20H,2-3,7-8H2,1,4H3/t9-,12+,13-,15-,16+,19+/m1/s1
SMILES C=C(CO)C(=O)O[C@H]1[C@@H]2C(=C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeKingianthus paradoxus Ref.
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OrganismKingianthus paradoxus
ReferenceBolhmann,Phytochem.,20,(1981),1146