input word = C00009570

Metabolite InformationStructural formula
Name Erosone
Isoelliptone
Formula C20H16O6
Mw 352.09468824
CAS RN 15236-21-2,26290-90-4,10091-00-6
C_ID C00009570 ,
InChIKey QDVCTVPRLKNDMC-UHFFFAOYNA-N
InChICode InChI=1S/C20H16O6/c1-22-16-6-11-14(8-17(16)23-2)25-9-18-19(11)20(21)12-5-10-3-4-24-13(10)7-15(12)26-18/h3-8,18-19H,9H2,1-2H3/t18-,19+/m1/s1
SMILES c12c(cc3c(c1)O[C@H]1[C@@H](C3=O)c3cc(c(cc3OC1)OC)OC)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePachyrhizus tuberosus Ref.
PlantaeFabaceaePachyrrhizus erosus Ref.
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