input word = C00037991

Metabolite InformationStructural formula
Name Virgatusin
Formula C23H28O7
Mw 416.18350325
CAS RN 176050-44-5
C_ID C00037991 ,
InChIKey OGTJJRNJLHLKFF-IFZUVCNUNA-N
InChICode InChI=1S/C23H28O7/c1-24-11-16-17(12-25-2)23(15-6-8-19-21(10-15)29-13-28-19)30-22(16)14-5-7-18(26-3)20(9-14)27-4/h5-10,16-17,22-23H,11-13H2,1-4H3/t16-,17+,22-,23-/m1/s1
SMILES COC[C@@H]1[C@@H](COC)[C@H](c2ccc(OC)c(OC)c2)O[C@@H]1c1ccc2c(c1)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus urinaria L. Ref.
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OrganismPhyllanthus urinaria L.
ReferenceChang,Phytochem.,63,(2003),825