input word = C00020438

Metabolite InformationStructural formula
Name Repensolide
Formula C19H23ClO7
Mw 398.1132308
CAS RN 106310-35-4
C_ID C00020438 ,
InChIKey ADYLGDMJIHJMCB-NBWIOABTNA-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@H]1([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)(CCl)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea spp. Ref.
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