input word = C00006168

Metabolite InformationStructural formula
Name Adonivernith
Formula C26H28O15
Mw 580.14282023
CAS RN 11003-05-7
C_ID C00006168 ,
InChIKey RQLWDYSEFWBFBP-XGEQSONXNA-N
InChICode InChI=1S/C26H28O15/c27-6-16-20(35)21(36)25(41-26-22(37)19(34)14(33)7-38-26)24(40-16)18-12(31)4-11(30)17-13(32)5-15(39-23(17)18)8-1-2-9(28)10(29)3-8/h1-5,14,16,19-22,24-31,33-37H,6-7H2/t14-,16-,19-,20-,21+,22-,24+,25-,26-/m1/s1
SMILES c1(cc(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)oc(cc2=O)c1cc(c(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeSetaria italica Ref.
PlantaeRanunculaceaeAdonis vernalis Ref.
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