input word = C00029617

Metabolite InformationStructural formula
Name Acanthophorin B
Formula C21H20O11
Mw 448.10056148
CAS RN 200860-89-5
C_ID C00029617 ,
InChIKey OXGUCUVFOIWWQJ-DBMKEWRINA-N
InChICode InChI=1S/C21H20O11/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/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1
SMILES c12c(c(=O)c(c(o1)c1cc(c(cc1)O)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaePsorospermum androsaemifolium BAKER Ref.
--Acanthophora spicifera Ref.
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