input word = C00008059

Metabolite InformationStructural formula
Name Bractein
Formula C21H20O12
Mw 464.09547611
CAS RN 22684-08-8
C_ID C00008059 ,
InChIKey CNLUHMGCIFZWFM-NLJKGWHTNA-N
InChICode InChI=1S/C21H20O12/c22-6-14-18(28)19(29)20(30)21(33-14)32-12-5-8(23)4-11-15(12)17(27)13(31-11)3-7-1-9(24)16(26)10(25)2-7/h1-5,14,18-26,28-30H,6H2/b13-3-/t14-,18-,19+,20-,21-/m1/s1
SMILES c12c(cc(cc1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O/C(=C\c1cc(c(c(c1)O)O)O)/C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelichrysum bracteatum Ref.
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