input word = C00021120

Metabolite InformationStructural formula
Name Balduilin
Formula C17H20O5
Mw 304.13107375
CAS RN 6895-47-2
C_ID C00021120 ,
InChIKey DCNRYQODUSSOKC-VYSHALOXNA-N
InChICode InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12-,14-,15-,17+/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H](OC(C)=O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBalduina angustifolia Ref.
PlantaeAsteraceaeBalduina uniflora Ref.
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OrganismBalduina angustifolia
ReferenceHerz,J.Am.Chem.Soc.,81,(1959),6061