input word = C00021191

Metabolite InformationStructural formula
Name Deacetylinulicin
Formula C15H22O4
Mw 266.15180919
CAS RN 33620-72-3
C_ID C00021191 ,
InChIKey ASZIGQFYGXSPCO-DICLLBESNA-N
InChICode InChI=1S/C15H22O4/c1-8(5-4-6-16)12-9(2)7-11-13(14(12)17)10(3)15(18)19-11/h8,11,13-14,16-17H,3-7H2,1-2H3/t8-,11+,13-,14+/m0/s1
SMILES C1(=C(C[C@@H]2[C@@H]([C@@H]1O)C(=C)C(=O)O2)C)[C@@H](C)CCCO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula japonica Ref.
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