input word = C00002486

Metabolite InformationStructural formula
Name Nodakenin
Formula C20H24O9
Mw 408.14203237
CAS RN 495-31-8
C_ID C00002486 ,
InChIKey HXCGUCZXPFBNRD-BWFWNTHUNA-N
InChICode InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3/t13-,14-,16+,17+,18-,19+/m1/s1
SMILES c12c(cc3c(c1)ccc(=O)o3)O[C@H](C2)C(C)(C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica dahurica Ref.
PlantaeApiaceaeAngelica decursiva Ref.
PlantaeApiaceaeAngelica gigas Ref.
PlantaeApiaceaeAngelica pubescens f.biserrata Ref.
PlantaeApiaceaeAnthriscus sylvestris Ref.
PlantaeApiaceaeApium graveolens Ref.
PlantaeApiaceaeNotopterygium forbesii Ref.
PlantaeApiaceaeNotopterygium incisum Ref.
PlantaeApiaceaePeucedanum decursivum Ref.
PlantaeApiaceaePeucedanum praeruptorum Ref.
PlantaeApiaceaeSphenosciadium capitellatum Ref.
PlantaeCrassulaceaeRhodiola sachalinensis Ref.
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OrganismRhodiola sachalinensis
ReferenceNakamura,Chem.Pharm.Bull.,55,(2007),1505