input word = C00031497

Metabolite InformationStructural formula
Name 12-O-benzoyldeacylmetaplexigenin
Formula C28H36O7
Mw 484.2461035
CAS RN 19308-44-2
C_ID C00031497 ,
InChIKey XESLPBJMIWFAMZ-AZAPHGJANA-N
InChICode InChI=1S/C28H36O7/c1-17(29)26(32)13-14-28(34)25(26,3)22(35-23(31)18-7-5-4-6-8-18)16-21-24(2)11-10-20(30)15-19(24)9-12-27(21,28)33/h4-9,20-22,30,32-34H,10-16H2,1-3H3/t20-,21+,22+,24-,25+,26+,27-,28+/m0/s1
SMILES C1[C@@H](CC2=CC[C@@]3([C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@]1(O)C(=O)C)O)C)OC(=O)c1ccccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAraujia sericifera Ref.
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