input word = C00021470

Metabolite InformationStructural formula
Name Armillyl orsellinate
Formula C23H30O6
Mw 402.20423869
CAS RN 82105-51-9
C_ID C00021470 ,
InChIKey WGPPXYYHVRWVLO-STWJOUNFNA-N
InChICode InChI=1S/C23H30O6/c1-11-5-12(25)6-16(26)18(11)21(28)29-17-9-23(4)15-8-22(2,3)7-13(15)20(27)14(10-24)19(17)23/h5-6,13,15,17,20,24-27H,7-10H2,1-4H3/t13-,15+,17-,20+,23-/m1/s1
SMILES C1(=C2[C@@]([C@@H]3[C@H]([C@@H]1O)CC(C3)(C)C)(C[C@H]2OC(=O)c1c(cc(cc1O)O)C)C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPhysalacriaceaeArmillaria mellea Ref.
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OrganismArmillaria mellea
ReferenceDonnelly,J. Nat. Prod.,49,(1986),111