input word = C00020437

Metabolite InformationStructural formula
Name Chlororepdiolide
Cebellin E
Formula C19H23ClO7
Mw 398.1132308
CAS RN 106566-98-7
C_ID C00020437 ,
InChIKey ADYLGDMJIHJMCB-NHNDELMUNA-N
InChICode InChI=1S/C19H23ClO7/c1-7(2)17(23)26-10-5-8(3)11-13(15-12(10)9(4)18(24)27-15)19(25,6-20)16(22)14(11)21/h10-16,21-22,25H,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@](O)(CCl)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea repens Ref.
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OrganismCentaurea repens
ReferenceStevens,J. Nat. Prod.,49,(1986),833