input word = C00021471

Metabolite InformationStructural formula
Name Armillyl everninate
Formula C24H32O6
Mw 416.21988875
CAS RN 102092-44-4
C_ID C00021471 ,
InChIKey KIBURFBDQVFUHO-NNQSPVHCNA-N
InChICode InChI=1S/C24H32O6/c1-12-6-13(29-5)7-17(26)19(12)22(28)30-18-10-24(4)16-9-23(2,3)8-14(16)21(27)15(11-25)20(18)24/h6-7,14,16,18,21,25-27H,8-11H2,1-5H3/t14-,16+,18-,21+,24-/m1/s1
SMILES COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(CO)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPhysalacriaceaeArmillaria mellea Ref.
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