input word = C00020736

Metabolite InformationStructural formula
Name Epoxyrepdiolide
Formula C19H22O7
Mw 362.13655306
CAS RN 83217-99-6
C_ID C00020736 ,
InChIKey VNIJLAIAGHMBIC-QQCHIIRZNA-N
InChICode InChI=1S/C19H22O7/c1-7(2)17(22)25-10-5-8(3)11-13(15-12(10)9(4)18(23)26-15)19(6-24-19)16(21)14(11)20/h10-16,20-21H,1,3-6H2,2H3/t10-,11-,12-,13-,14+,15-,16-,19-/m0/s1
SMILES [C@H]1([C@@]2([C@H]3[C@@H]([C@H]1O)C(=C)C[C@@H]([C@H]1[C@@H]3OC(=O)C1=C)OC(=O)C(=C)C)CO2)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