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=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2[C@@H](O)[C@H](O)[C@]3(CO3)[C@@H]2C2OC(=O)C(=C)C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea repens Ref.
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