input word = C00019362

Metabolite InformationStructural formula
Name Boerhavilanostenyl benzoate
Formula C43H64O8
Mw 708.46011902
CAS RN 219686-54-1
C_ID C00019362 ,
InChIKey YSZPGWVKMANYKI-ZKNCTORLNA-N
InChICode InChI=1S/C43H64O8/c1-26(25-49-39-36(47)35(46)37(32(24-44)50-39)51-38(48)28-14-9-8-10-15-28)12-11-13-27(2)29-18-22-43(7)31-16-17-33-40(3,4)34(45)20-21-41(33,5)30(31)19-23-42(29,43)6/h8-10,14-15,17,26-27,29-32,35-37,39,44,46-47H,11-13,16,18-25H2,1-7H3/t26-,27+,29+,30-,31-,32+,35-,36+,37?,39+,41+,42+,43-/m0/s1
SMILES C1C(=O)C(C2=CC[C@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@]3(CC[C@@H]1[C@H](C)CCC[C@@H](CO[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)OC(=O)c1ccccc1)O)O)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNyctaginaceaeBoerhavia diffusa Ref.
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