input word = C00011112

Metabolite InformationStructural formula
Name Brosimacutin A
Formula C20H22O6
Mw 358.14163844
CAS RN 350221-43-1
C_ID C00011112 ,
InChIKey MCDSHLATEYMKDN-KXBAJZQQNA-N
InChICode InChI=1S/C20H22O6/c1-20(2,25)18(24)9-14-15(22)8-7-13-16(23)10-17(26-19(13)14)11-3-5-12(21)6-4-11/h3-8,17-18,21-22,24-25H,9-10H2,1-2H3/t17-,18-/m0/s1
SMILES c1c2c(c(c(c1)O)C[C@H](O)C(C)(O)C)O[C@@H](CC2=O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeBrosimum acutifolium Ref.
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