input word = C00054165

Metabolite InformationStructural formula
Name Angeolide
Formula C24H28O4
Mw 380.19875938
CAS RN 81957-73-5
C_ID C00054165
InChIKey DZMFTLLDUYBHLI-FSEWZPIJSA-N
InChICode InChI=1S/C24H28O4/c1-3-5-11-20-23-13-12-15(14-19(23)22(26)27-20)17(8-4-2)24(23)18-10-7-6-9-16(18)21(25)28-24/h6,9,11,14-15,17H,3-5,7-8,10,12-13H2,1-2H3/b20-11+/t15-,17+,23+,24+/m1/s1
SMILES O=C(O1)C2=C(CCC=C2)[C@@]31[C@@H](CCC)[C@H](CC4)C=C5[C@@]34/C(OC5=O)=CCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica glauca Ref.
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