input word = C00029702

Metabolite InformationStructural formula
Name Adicardin
Apiosylskimmin
Formula C20H24O12
Mw 456.12677623
CAS RN 103529-94-8
C_ID C00029702 ,
InChIKey SXPBJYHKMRWZNA-ZCNRRTENNA-N
InChICode InChI=1S/C20H24O12/c21-7-20(27)8-29-19(17(20)26)28-6-12-14(23)15(24)16(25)18(32-12)30-10-3-1-9-2-4-13(22)31-11(9)5-10/h1-5,12,14-19,21,23-27H,6-8H2/t12-,14-,15+,16-,17+,18-,19-,20-/m1/s1
SMILES O=c1ccc2ccc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica furcijuga KITAGAWA Ref.
PlantaeApiaceaePeucedanum praeruptorum DUNN. Ref.
PlantaeThymelaeaceaeGnidia polycephala Ref.
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OrganismAngelica furcijuga KITAGAWA
ReferenceMatsuda,Chem.Pharm.Bull.,53,(2005),387