input word = C00005834

Metabolite InformationStructural formula
Name Amurensin
Formula C26H30O12
Mw 534.17372642
CAS RN 641-94-1
C_ID C00005834 ,
InChIKey UNHHWEHQUUGKEE-QZUBNFEHNA-N
InChICode InChI=1S/C26H30O12/c1-26(2,35)8-7-13-15(36-25-22(34)20(32)18(30)16(10-27)37-25)9-14(29)17-19(31)21(33)23(38-24(13)17)11-3-5-12(28)6-4-11/h3-6,9,16,18,20,22,25,27-30,32-35H,7-8,10H2,1-2H3/t16-,18+,20-,22+,25+/m0/s1
SMILES CC(C)(O)CCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrigonella foenum-graecum Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaePlatanaceaePlatanus orientalis Ref.
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeRutaceaePhellodendron japonicum MAXIM Ref.
PlantaeRutaceaePhellodendron sachalinense Ref.
--Plantanus orientalis Ref.
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OrganismPunica granatum
ReferenceWu, S. et al., Molecules 22, (2017), 1606.