input word = C00054380

Metabolite InformationStructural formula
Name Arnamial
Formula C24H29ClO6
Mw 448.16526637
CAS RN 1193340-26-9
C_ID C00054380
InChIKey KWJJPEZBNLGOFB-RNNQDMPLSA-N
InChICode InChI=1S/C24H29ClO6/c1-11-18(15(27)6-16(30-5)20(11)25)22(29)31-17-9-24(4)14-8-23(2,3)7-12(14)21(28)13(10-26)19(17)24/h6,10,12,14,17,21,27-28H,7-9H2,1-5H3/t12-,14+,17-,21+,24-/m1/s1
SMILES COC1=CC(O)=C(C(O[C@H]2C3=C(C=O)[C@@H](O)[C@@](CC(C)(C)C4)([H])[C@@]4([H])[C@@]3(C)C2)=O)C(C)=C1Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPhysalacriaceaeArmillaria mellea Ref.
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OrganismArmillaria mellea
ReferenceDonnelly, D.M.X. et al., Chem. Comm., 1982, 135-137

1984, , 222-223 (Armillyl orsellinate, isol, struct, abs config)