input word = C00034281

Metabolite InformationStructural formula
Name Squarrosanin B
Formula C41H28O26
Mw 936.08688107
CAS RN 1110784-04-7
C_ID C00034281 ,
InChIKey PQROAZRZUSLDJS-UHFFFAOYNA-N
InChICode InChI=1S/C41H28O26/c42-10-1-7(2-11(43)24(10)47)37(58)65-16-6-63-38(59)8-3-12(44)26(49)28(51)17(8)18-9(4-13(45)27(50)29(18)52)39(60)66-35(16)34(57)32(55)30(53)22-21-20-19-15(64-40(21)61)5-14(46)25(48)23(19)41(62)67-36(20)33(56)31(22)54/h1-5,16,30,32,34-35,42-57H,6H2/t16-,30+,32-,34-,35-/m0/s1
SMILES c1(c2c(cc(c1O)O)C(=O)O[C@@H]([C@@H](OC(=O)c1cc(c(c(c1)O)O)O)COC(=O)c1c2c(c(c(c1)O)O)O)[C@H]([C@H]([C@@H](c1c2c3c(c(c1O)O)oc(=O)c1c3c(oc2=O)cc(c1O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeMelaleuca squarrosa Ref.
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