input word = C00041964

Metabolite InformationStructural formula
Name Xanthoangelol J
Formula C25H30O5
Mw 410.20932407
CAS RN 878277-38-4
C_ID C00041964 ,
InChIKey BQRLJINJRBLFJV-XYOKQWHBNA-N
InChICode InChI=1S/C25H30O5/c1-17(2)5-4-15-25(3,30)16-14-21-23(28)13-11-20(24(21)29)22(27)12-8-18-6-9-19(26)10-7-18/h5-13,26,28-30H,4,14-16H2,1-3H3/b12-8+/t25-/m1/s1
SMILES CC(C)=CCCC(C)(O)CCc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica keiskei Ref.
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