input word = C00055508

Metabolite InformationStructural formula
Name Armillasin
Formula C22H28O5
Mw 372.193674
CAS RN 139051-16-4
C_ID C00055508
InChIKey OARPHBIUHFLXAN-OLOSDLENSA-N
InChICode InChI=1S/C22H28O5/c1-12-7-14(23)8-15(24)18(12)19(25)27-17-9-16-21(4)11-20(2,3)10-13(21)5-6-22(16,17)26/h5-8,13,16-17,23-24,26H,9-11H2,1-4H3/t13-,16-,17-,21+,22-/m1/s1
SMILES Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@H]2[C@]1(O)C=C[C@@H]1CC(C)(C)C[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPhysalacriaceaeArmillaria mellea Ref.
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OrganismArmillaria mellea
ReferenceYang, J.S. et al., Planta Med., 1991, 57, 478 (isol, pmr, cmr)