input word = C00054582

Metabolite InformationStructural formula
Name 1-Acetoxypinnatifidin
Formula C17H20O5
Mw 304.13107375
CAS RN 78204-76-9
C_ID C00054582
InChIKey OHDDHQBIAYNNFC-ADAAFCRPSA-N
InChICode InChI=1S/C17H20O5/c1-8-5-13(19)15(21-10(3)18)17(4)7-14-11(6-12(8)17)9(2)16(20)22-14/h5,11-12,14-15H,2,6-7H2,1,3-4H3/t11-,12+,14-,15+,17-/m1/s1
SMILES O=C(C)O[C@@H]1[C@@]2(C)[C@](C[C@@](C(C(O3)=O)=C)([H])[C@@]3([H])C2)([H])C(C)=CC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus tuberosus Ref.
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OrganismHelianthus tuberosus
ReferenceHerz, W. et al., Phytochemistry, 1981, 20, 99-104 (isol, cd, ir, pmr, cmr, ms)