input word = C00045824

Metabolite InformationStructural formula
Name Daldinone A
(-)-Daldinone A
Formula C20H16O5
Mw 336.09977362
CAS RN 479669-74-4
C_ID C00045824 ,
InChIKey OYRYUFABCKQXTO-NVGIDXTGNA-N
InChICode InChI=1S/C20H16O5/c21-13-3-1-2-10-18(13)16(24)8-12-9-4-6-14(22)19-15(23)7-5-11(17(9)19)20(10,12)25/h1-3,5,7,9,12,21,23,25H,4,6,8H2/t9-,12+,20+/m1/s1
SMILES c12C(=O)C[C@@H]3[C@](c1cccc2O)(c1c2[C@@H]3CCC(=O)c2c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeDaldinia concentrica Ref.
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OrganismDaldinia concentrica
ReferenceQuang,J.Nat.Prod.,65,(2002),1869