input word = C00035920

Metabolite InformationStructural formula
Name Phellodonic acid
Formula C23H32O6
Mw 404.21988875
CAS RN 152613-17-7
C_ID C00035920 ,
InChIKey SGMJRSNRTRKWNM-UHFFFAOYNA-N
InChICode InChI=1S/C23H32O6/c1-5-6-7-8-9-10-15(24)28-18-16-14(11-21(18,3)20(26)27)12-23-19(29-23)17(25)13(2)22(16,23)4/h14,16,18-19H,2,5-12H2,1,3-4H3,(H,26,27)/t14-,16-,18-,19-,21-,22-,23-/m1/s1
SMILES [C@H]12[C@@H]([C@@]3([C@@]4(C1)[C@@H](C(=O)C3=C)O4)C)[C@H]([C@@](C2)(C(=O)O)C)OC(=O)CCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiBankeraceaePhellodon melaleucus Ref.
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