input word = C00030824

Metabolite InformationStructural formula
Name Nirtetralin
(+)-Nirtetralin
Formula C24H30O7
Mw 430.19915331
CAS RN 50656-78-5
C_ID C00030824 ,
InChIKey LHQDZANQXMRHIV-KIYSYHANNA-N
InChICode InChI=1S/C24H30O7/c1-25-11-16-8-15-10-20-23(31-13-30-20)24(29-5)22(15)21(17(16)12-26-2)14-6-7-18(27-3)19(9-14)28-4/h6-7,9-10,16-17,21H,8,11-13H2,1-5H3/t16-,17-,21+/m1/s1
SMILES c12c(c(c3c(c1)OCO3)OC)[C@H]([C@@H]([C@H](C2)COC)COC)c1cc(c(cc1)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus niruri Ref.
PlantaePhyllanthaceaePhyllanthus urinaria L. Ref.
PlantaePlantaginaceaeScoparia dulcis L. Ref.
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OrganismScoparia dulcis L.
ReferenceGiang,Chem.Pharm.Bull.,54,(2006),546