input word = C00021144

Metabolite InformationStructural formula
Name Desacylligulatin C
Formula C15H22O4
Mw 266.15180919
CAS RN 117047-28-6
C_ID C00021144 ,
InChIKey WHRVEOYAUAOADS-LLSUYOHZNA-N
InChICode InChI=1S/C15H22O4/c1-8-3-4-10-9(2)14(18)19-13(10)15(7-16)11(8)5-6-12(15)17/h8,10-13,16-17H,2-7H2,1H3/t8-,10-,11-,12-,13+,15-/m0/s1
SMILES [C@H]1([C@H]2[C@]([C@H]3[C@@H](CC1)C(=C)C(=O)O3)([C@H](CC2)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRudbeckia grandiflora Ref.
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