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@@H]12[C@@H]([C@@H]3[C@H]([C@@H](CC1=C)OC(=O)C(=C)CO)C(=C)C(=O)O3)C(=C)[C@H](C2)O
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 pulchella
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51