input word = C00045825

Metabolite InformationStructural formula
Name Daldinone B
(+)-Daldinone B
Formula C20H12O6
Mw 348.06338812
CAS RN 479669-75-5
C_ID C00045825 ,
InChIKey XSPAHHKREJIGIX-KFCOIAHNNA-N
InChICode InChI=1S/C20H12O6/c21-9-3-1-6-8-5-11(23)15-16(19-20(26-19)18(25)17(15)24)13(8)7-2-4-10(22)14(9)12(6)7/h1-5,17,19-24H/t17-,19+,20-/m0/s1
SMILES c1(ccc2c3c1c(ccc3c1c2cc(c2c1[C@@H]1[C@H](C(=O)[C@H]2O)O1)O)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