input word = C00021464

Metabolite InformationStructural formula
Name Melledonal
Formula C23H28O8
Mw 432.17841787
CAS RN 103847-15-0
C_ID C00021464 ,
InChIKey BYWJNFQCWYEWHX-BFRUCMNJNA-N
InChICode InChI=1S/C23H28O8/c1-11-5-13(25)6-14(26)16(11)19(28)31-15-8-21(4)17-18(27)20(2,3)10-22(17,29)7-12(9-24)23(15,21)30/h5-7,9,15,17-18,25-27,29-30H,8,10H2,1-4H3/t15-,17+,18+,21+,22?,23-/m1/s1
SMILES C1(=C[C@]2([C@H]([C@]3([C@@]1([C@@H](C3)OC(=O)c1c(cc(cc1O)O)C)O)C)[C@@H](C(C2)(C)C)O)O)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPhysalacriaceaeArmillaria mellea Ref.
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