input word = C00054289

Metabolite InformationStructural formula
Name Archangelin
Formula C21H22O4
Mw 338.15180919
CAS RN 21174-75-4
C_ID C00054289
InChIKey NETRCGJRLNZPCW-UHFFFAOYSA-N
InChICode InChI=1S/C21H22O4/c1-13-11-21(2,3)8-6-14(13)12-24-20-15-4-5-19(22)25-18(15)10-17-16(20)7-9-23-17/h4-5,7,9-10H,6,8,11-12H2,1-3H3
SMILES CC1=C(COc2c3ccoc3cc3oc(=O)ccc23)CCC(C)(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica archangelica Ref.
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