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 CC(=O)[C@H]1CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)c1ccccc1)C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAraujia sericifera Ref.
PlantaeApocynaceaeAsclepias incarnata L. Ref.
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