input word = C00003971

Metabolite InformationStructural formula
Name Scaposin
Formula C19H18O9
Mw 390.09508217
CAS RN 18398-74-8
C_ID C00003971 ,
InChIKey NYKXAPFHNLNAIJ-UHFFFAOYSA-N
InChICode InChI=1S/C19H18O9/c1-24-12-6-8(5-10(21)16(12)25-2)11-7-9(20)13-14(22)18(26-3)15(23)19(27-4)17(13)28-11/h5-7,21-23H,1-4H3
SMILES c1(c(c(c2c(c1OC)oc(cc2=O)c1cc(c(c(c1)O)OC)OC)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHymenoxys scaposa Ref.
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