input word = C00050995

Metabolite InformationStructural formula
Name Isorutarin
Formula C20H24O10
Mw 424.13694699
CAS RN 53846-51-8
C_ID C00050995
InChIKey QZUDEXAHKXCIDG-CNDFQIOUNA-N
InChICode InChI=1S/C20H24O10/c1-20(2,30-19-15(25)14(24)13(23)10(7-21)27-19)11-6-9-5-8-3-4-12(22)29-17(8)16(26)18(9)28-11/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3/t10-,11-,13-,14+,15-,19+/m1/s1
SMILES CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Cc2cc3ccc(=O)oc3c(O)c2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaePeucedanum praeruptorum Ref.
PlantaeRutaceaeRuta graveolens Ref.
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OrganismRuta graveolens
ReferenceSchneider,G.et al.,Arch.Pharm.(Weinheim,Ger.),300,(1967),73