input word = C00054382

Metabolite InformationStructural formula
Name Armillarinin
Formula C24H29ClO7
Mw 464.16018099
CAS RN 127486-63-9
C_ID C00054382
InChIKey XOGUZUVXPLTDMB-FUVFEPFRSA-N
InChICode InChI=1S/C24H29ClO7/c1-12-18(14(27)6-15(31-5)19(12)25)20(28)32-17-9-22(4)16-8-21(2,3)11-23(16,29)7-13(10-26)24(17,22)30/h6-7,10,16-17,27,29-30H,8-9,11H2,1-5H3/t16-,17-,22-,23+,24+/m1/s1
SMILES COC1=CC(O)=C(C(O[C@H]2[C@](C(C=O)=C[C@@]3(O)[C@]4([H])CC(C)(C)C3)(O)[C@]4(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., Phytochemistry, 1990, 29, 2569

1997, 44, 1473-1478 (isol, pmr, cmr, derivs)