input word = C00005130

Metabolite InformationStructural formula
Name Datiscanin
Formula C21H20O11
Mw 448.10056148
CAS RN 83008-42-8
C_ID C00005130 ,
InChIKey PUICZWZOCHNCBI-UNCWLGIWNA-N
InChICode InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-8(23)6-12(14)30-19(20)9-3-1-2-4-10(9)24/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccccc1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDatiscaceaeDatisca cannabina Ref.
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