input word = C00031899

Metabolite InformationStructural formula
Name Isoepoxypteryxin
Formula C21H22O8
Mw 402.13146768
CAS RN 214778-44-6
C_ID C00031899 ,
InChIKey JATBXVRRSYYPIL-ZZARJURKNA-N
InChICode InChI=1S/C21H22O8/c1-10-21(5,28-10)19(24)27-18-17(25-11(2)22)15-13(29-20(18,3)4)8-6-12-7-9-14(23)26-16(12)15/h6-10,17-18H,1-5H3/t10-,17-,18-,21-/m1/s1
SMILES c12c(ccc3c1[C@H]([C@H](C(O3)(C)C)OC(=O)[C@]1(C)O[C@@H]1C)OC(=O)C)ccc(=O)o2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica furcijuga KITAGAWA Ref.
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OrganismAngelica furcijuga KITAGAWA
ReferenceMatsuda,Chem.Pharm.Bull.,53,(2005),387