input word = C00054166

Metabolite InformationStructural formula
Name Angelicolide
Formula C24H28O4
Mw 380.19875938
CAS RN 90826-58-7
C_ID C00054166
InChIKey LSDFCPDLBLFHAT-UWXQAFAOSA-N
InChICode InChI=1S/C24H28O4/c1-3-9-19-20(10-4-2)24(18-14-8-6-12-16(18)22(26)28-24)23(19)17-13-7-5-11-15(17)21(25)27-23/h5-6,11-12,19-20H,3-4,7-10,13-14H2,1-2H3/t19-,20-,23+,24+/m0/s1
SMILES O=C1O[C@@]2([C@@H](CCC)[C@H](CCC)[C@]23C(CCC=C4)=C4C(O3)=O)C5=C1C=CCC5
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica glauca Ref.
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