input word = C00021769

Metabolite InformationStructural formula
Name 2-Oxo-6-dehydroxyneoanisatin
Formula C15H18O7
Mw 310.10525293
CAS RN 128129-58-8
C_ID C00021769 ,
InChIKey PKSKJUUWVGTFQJ-KRKIODJZNA-N
InChICode InChI=1S/C15H18O7/c1-6-8(16)3-15(20)13(6)4-9(22-11(18)10(13)17)7(2)14(15)5-21-12(14)19/h6-7,9-10,17,20H,3-5H2,1-2H3/t6-,7-,9-,10+,13+,14-,15-/m1/s1
SMILES C1(=O)C[C@]2([C@]3([C@@H]1C)C[C@H]([C@H]([C@]12COC1=O)C)OC(=O)[C@@H]3O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIlliciaceaeIllicium majus Ref.
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OrganismIllicium majus
ReferenceYang,Chem. Pharm. Bull.,38,(1990),291