input word = C00053272

Metabolite InformationStructural formula
Name Guadial A
Formula C25H26O5
Mw 406.17802394
CAS RN 1402066-93-6
C_ID C00053272
InChIKey OYVVKPBNGPLGSG-KRKQSOCOSA-N
InChICode InChI=1S/C25H26O5/c1-14(2)24-8-9-25(19(24)11-24)10-16(15-6-4-3-5-7-15)20-22(29)17(12-26)21(28)18(13-27)23(20)30-25/h3-7,12-14,16,19,28-29H,8-11H2,1-2H3/t16-,19-,24+,25-/m0/s1
SMILES [H][C@@]([C@]1(C(C)C)CC2)(C1)[C@]2(C[C@]3(C4=CC=CC=C4)[H])OC5=C3C(O)=C(C=O)C(O)=C5C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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