input word = C00050862

Metabolite InformationStructural formula
Name Isoangelol
Formula C20H24O7
Mw 376.15220312
CAS RN 110115-58-7
C_ID C00050862
InChIKey BAHUBXAYVOCLNA-UHFFFAOYNA-N
InChICode InChI=1S/C20H24O7/c1-6-11(2)19(23)27-17(18(22)20(3,4)24)13-9-12-7-8-16(21)26-14(12)10-15(13)25-5/h6-10,17-18,22,24H,1-5H3
SMILES CC=C(C)C(=O)OC(c1cc2ccc(=O)oc2cc1OC)C(O)C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica pubescens f.biserrata Ref.
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OrganismAngelica pubescens f.biserrata
ReferenceLiang, et al., Fundamental Research on Common Traditional Chinese Medicines. Vol.1. Science Press, Beijing, (2003).

Pan, et al., Acta Pharmaceutica Sinica(Yaoxue Xuebao), 22, (1987), 380