input word = C00009988

Metabolite InformationStructural formula
Name Repenol
6a,12a-Dehydro-3,9,10,11-tetrahydroxy-6-acetoxyrotenone
Formula C18H12O9
Mw 372.04813198
CAS RN 128486-16-8
C_ID C00009988 ,
InChIKey OTDFRLWOMRZKDR-UHFFFAOYNA-N
InChICode InChI=1S/C18H12O9/c1-6(19)25-18-17-12(8-3-2-7(20)4-10(8)27-18)15(23)13-11(26-17)5-9(21)14(22)16(13)24/h2-5,18,20-22,24H,1H3/t18-/m0/s1
SMILES CC(=O)OC1Oc2cc(O)ccc2-c2c1oc1cc(O)c(O)c(O)c1c2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNyctaginaceaeBoerhavia repens Ref.
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