input word = C00021170

Metabolite InformationStructural formula
Name Pulchelloid C
Formula C20H28O6
Mw 364.18858863
CAS RN 87553-40-0
C_ID C00021170 ,
InChIKey WUMRXBPDXGXSJC-LBZPREDMNA-N
InChICode InChI=1S/C20H28O6/c1-6-9(2)18(23)26-14-8-12(21)16-10(3)7-13-15(11(4)19(24)25-13)17(22)20(14,16)5/h6,10,12-17,21-22H,4,7-8H2,1-3,5H3/b9-6-/t10-,12+,13+,14-,15+,16-,17+,20-/m1/s1
SMILES [C@@H]12[C@]([C@H]([C@@H]3[C@H](C[C@H]1C)OC(=O)C3=C)O)([C@@H](C[C@@H]2O)OC(=O)/C(=C\C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGaillardia pulchella Ref.
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OrganismGaillardia pulchella
ReferenceInayama,Heterocycles,20,(1983),1501