input word = C00003366

Metabolite InformationStructural formula
Name Saupirin
sauparine
Formula C19H22O6
Mw 346.14163844
CAS RN 35932-39-9
C_ID C00003366 ,
InChIKey KHSCYOFDKADJDJ-UHFFFAOYNA-N
InChICode InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14+,15-,16-,17+/m0/s1
SMILES C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSaussurea neopulchella Ref.
PlantaeAsteraceaeSaussurea puchella Ref.
PlantaeAsteraceaeSaussurea pulchella Ref.
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OrganismSaussurea puchella
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)