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 [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)Oc1ccc2c(c1)oc(=O)cc2)CO[C@@H]1OC[C@]([C@H]1O)(O)CO)O)O
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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