input word = C00006128

Metabolite InformationStructural formula
Name (-)-Isoscoparin
Formula C22H22O11
Mw 462.11621155
CAS RN 89759-25-1
C_ID C00006128 ,
InChIKey KOMUHHCFAXYRPO-VDCSRMFWNA-N
InChICode InChI=1S/C22H22O11/c1-31-13-4-8(2-3-9(13)24)12-5-10(25)16-14(32-12)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3/t15-,18+,20-,21-,22+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1cc(c(cc1)O)OC)O)[C@H]1O[C@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeArenaria kansuensis Ref.
PlantaeCaryophyllaceaeDianthus versicolor Ref.
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