input word = C00008705

Metabolite InformationStructural formula
Name Neoisoastilbin
Formula C21H22O11
Mw 450.11621155
CAS RN 54141-72-9
C_ID C00008705 ,
InChIKey ZROGCCBNZBKLEL-FVXYSSTRNA-N
InChICode InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18-,19+,20+,21-/m0/s1
SMILES c1c(c2c(cc1O)O[C@@H]([C@@H](C2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeSarcandra glabra Ref.
PlantaeJuglandaceaeEngelhardtia chrysolepis Ref.
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