input word = C00020735

Metabolite InformationStructural formula
Name Repdiolide
Formula C19H22O6
Mw 346.14163844
CAS RN 83217-88-3
C_ID C00020735 ,
InChIKey MRBKKNMFILNDIF-LCJOEMQTNA-N
InChICode InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3/t11-,12-,13+,14-,15+,16+,17+/m0/s1
SMILES [C@H]1(C(=C)[C@H]2[C@@H]([C@H]1O)C(=C)C[C@@H]([C@@H]1[C@H]2OC(=O)C1=C)OC(=O)C(=C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea repens Ref.
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OrganismCentaurea repens
ReferenceStevens,Phytochem.,21,(1982),1093