input word = C00031498

Metabolite InformationStructural formula
Name 12-O-Benzoylisolineolon
Formula C28H36O6
Mw 468.25118888
CAS RN 19534-89-5
C_ID C00031498 ,
InChIKey QYGCNWGDTWSRCZ-VIRMYEOWNA-N
InChICode InChI=1S/C28H36O6/c1-17(29)21-11-14-28(33)26(21,3)23(34-24(31)18-7-5-4-6-8-18)16-22-25(2)12-10-20(30)15-19(25)9-13-27(22,28)32/h4-9,20-23,30,32-33H,10-16H2,1-3H3/t20-,21+,22+,23+,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@@H]1C(=O)C)O)C)OC(=O)c1ccccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAraujia sericifera Ref.
PlantaeApocynaceaeAsclepias incarnata L. Ref.
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