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@@H]12[C@]([C@H]([C@H]3[C@@H](C[C@H]1C)OC(=O)C3=C)OC(=O)C(=C)CO)(C(=O)C=C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeKingianthus paradoxus Ref.
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