input word = C00011961

Metabolite InformationStructural formula
Name Xanthostemone
Formula C12H16O3
Mw 208.10994438
CAS RN 22601-85-0
C_ID C00011961 ,
InChIKey KGJFFBOOYRBYNK-UHFFFAOYNA-N
InChICode InChI=1S/C12H16O3/c1-7(2)10(14)9-8(13)5-6-12(3,4)11(9)15/h5-7,9H,1-4H3/t9-/m0/s1
SMILES C1(C=CC(=O)[C@H](C1=O)C(=O)C(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeXanthostemon oppositifolius Ref.
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