input word = C00021058

Metabolite InformationStructural formula
Name Desacetylgaillardipinnatin
Formula C17H20O6
Mw 320.12598837
CAS RN 53866-46-9
C_ID C00021058 ,
InChIKey VIWLMLFCULMYHH-OZOPGCHUNA-N
InChICode InChI=1S/C17H20O6/c1-7-10-5-6-11(19)17(10,4)15(20)12-8(2)16(21)23-14(12)13(7)22-9(3)18/h5-7,10,12-15,20H,2H2,1,3-4H3/t7-,10-,12+,13+,14+,15-,17-/m0/s1
SMILES [C@@H]12[C@]([C@H]([C@H]3[C@H]([C@@H]([C@H]1C)OC(=O)C)OC(=O)C3=C)O)(C(=O)C=C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGaillardia amblyodon Ref.
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OrganismGaillardia amblyodon
ReferenceHerz,Phytochem.,13,(1974),1187