input word = C00006132

Metabolite InformationStructural formula
Name Dalpanitin
Formula C22H22O11
Mw 462.11621155
CAS RN 40522-83-6
C_ID C00006132 ,
InChIKey GSFDOOHGKOHDEL-YBQLKQSZNA-N
InChICode InChI=1S/C22H22O11/c1-31-13-4-8(2-3-10(13)24)9-7-32-21-15(17(9)27)11(25)5-12(26)16(21)22-20(30)19(29)18(28)14(6-23)33-22/h2-5,7,14,18-20,22-26,28-30H,6H2,1H3/t14-,18-,19+,20-,22+/m1/s1
SMILES c1(cc(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)occ(c2=O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDalbergia paniculata Ref.
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