input word = C00037977

Metabolite InformationStructural formula
Name Urinatetralin
Formula C22H24O6
Mw 384.1572885
CAS RN 610313-86-5
C_ID C00037977 ,
InChIKey XNZRAIUXPDCEOA-NJEYQOGGNA-N
InChICode InChI=1S/C22H24O6/c1-23-9-15-5-14-7-20-21(28-12-27-20)8-16(14)22(17(15)10-24-2)13-3-4-18-19(6-13)26-11-25-18/h3-4,6-8,15,17,22H,5,9-12H2,1-2H3/t15-,17-,22-/m1/s1
SMILES c12c(C[C@@H]([C@H]([C@@H]1c1ccc3c(c1)OCO3)COC)COC)cc1c(c2)OCO1
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