input word = C00045652

Metabolite InformationStructural formula
Name Aristelegin A
(-)-Aristelegin A
Formula C21H20O7
Mw 384.12090299
CAS RN 477199-87-4
C_ID C00045652 ,
InChIKey HBOUIMWCFJKPNL-RBUDWUACNA-N
InChICode InChI=1S/C21H20O7/c1-23-21-15(7-13-3-5-17-19(9-13)27-11-25-17)14(20(22)28-21)6-12-2-4-16-18(8-12)26-10-24-16/h2-5,8-9,14-15,21H,6-7,10-11H2,1H3/t14-,15-,21+/m1/s1
SMILES O1COc2c1ccc(c2)C[C@@H]1[C@H]([C@H](OC1=O)OC)Cc1ccc2c(c1)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAristolochiaceaeAristolochia elegans Ref.
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