input word = C00020594

Metabolite InformationStructural formula
Name 19-Deoxyjanerin
Desoxyrepin
Formula C19H22O6
Mw 346.14163844
CAS RN 76035-49-9
C_ID C00020594 ,
InChIKey OXOPCSJXUOZWDB-AQXYQJOWNA-N
InChICode InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16+,19+/m0/s1
SMILES [C@H]1([C@]2([C@H]3[C@@H](C1)C(=C)C[C@@H]([C@@H]1[C@H]3OC(=O)C1=C)OC(=O)C(=C)C)OC2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePleiotaxis rugosa Ref.
PlantaeAsteraceaePtilostemon diacanthus Ref.
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OrganismPtilostemon diacanthus
ReferenceBohlmann,Phytochem.,19,(1980),692