input word = C00047998

Metabolite InformationStructural formula
Name Mikanin 3-sulfate
Formula C18H16O10S
Mw 424.04641746
CAS RN 1137745-56-2
C_ID C00047998 ,
InChIKey OABRFHRMBBMSFM-UHFFFAOYSA-N
InChICode InChI=1S/C18H16O10S/c1-24-10-6-4-9(5-7-10)16-18(28-29(21,22)23)15(20)13-11(27-16)8-12(25-2)17(26-3)14(13)19/h4-8,19H,1-3H3,(H,21,22,23)
SMILES COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OS(=O)(=O)O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMikania micrantha Ref.
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OrganismMikania micrantha
ReferenceBut,J.Nat.Prod.,72,(2009),925