input word = C00020860

Metabolite InformationStructural formula
Name 9beta-Hydroxykandavanolide
Formula C17H20O6
Mw 320.12598837
CAS RN 96382-98-8
C_ID C00020860 ,
InChIKey CFCUACRLPCNJDU-HBJIIZFSNA-N
InChICode InChI=1S/C17H20O6/c1-6-10-5-11(22-9(4)18)7(2)12(10)16-13(15(20)14(6)19)8(3)17(21)23-16/h10-16,19-20H,1-3,5H2,4H3/t10-,11+,12-,13+,14+,15-,16-/m0/s1
SMILES [C@@H]12[C@@H]([C@H]3[C@@H]([C@@H]([C@@H](C1=C)O)O)C(=C)C(=O)O3)C(=C)[C@@H](C2)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea kandavanensis Ref.
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