input word = C00021455

Metabolite InformationStructural formula
Name Armillaric acid
Formula C23H28O7
Mw 416.18350325
CAS RN 129251-06-5
C_ID C00021455 ,
InChIKey AOCKXACXCVTXBB-GAZHASMVNA-N
InChICode InChI=1S/C23H28O7/c1-11-5-13(24)7-16(25)18(11)20(28)30-17-10-22(4)15-9-21(2,3)8-12(15)6-14(19(26)27)23(17,22)29/h5-7,12,15,17,24-25,29H,8-10H2,1-4H3,(H,26,27)/t12-,15-,17+,22+,23?/m0/s1
SMILES Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@H]3C=C(C(=O)O)[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPhysalacriaceaeArmillaria mellea Ref.
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OrganismArmillaria mellea
ReferenceObuchi,Planta Med.,56,(1990),198