input word = C00021068

Metabolite InformationStructural formula
Name Neopulchellin
Formula C15H22O4
Mw 266.15180919
CAS RN 28230-81-1
C_ID C00021068 ,
InChIKey BPUNWVGCTMEMKQ-QKRMJPKKNA-N
InChICode InChI=1S/C15H22O4/c1-7-4-11-9(8(2)14(18)19-11)6-15(3)12(17)5-10(16)13(7)15/h7,9-13,16-17H,2,4-6H2,1,3H3/t7-,9-,10+,11-,12-,13-,15-/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@@H](O)C[C@@H](O)[C@@]3(C)C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGaillardia pulchella Ref.
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