input word = C00012361

Metabolite InformationStructural formula
Name Simsiolide
Formula C15H20O4
Mw 264.13615913
CAS RN 63597-81-9
C_ID C00012361 ,
InChIKey ZMFCIMWRPFSUCY-YVMONPNENA-N
InChICode InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12(16)11-9(2)14(17)18-10(11)7-8/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11+,12-,13+,15-/m1/s1
SMILES [C@@]12([C@H]([C@@H]([C@@H]3[C@@H](C/C(=C/CC1)/C)OC(=O)C3=C)O)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSimsia dombeyana Ref.
PlantaeAsteraceaeWedelia trilobata Ref.
--Sinsia dombeyana Ref.
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