input word = C00021452

Metabolite InformationStructural formula
Name Melleolide
Formula C23H28O6
Mw 400.18858863
CAS RN 82869-08-7
C_ID C00021452 ,
InChIKey SJZRUQOYQZRISL-IBQZYNOLNA-N
InChICode InChI=1S/C23H28O6/c1-12-5-15(25)7-17(26)19(12)20(27)29-18-10-22(4)16-9-21(2,3)8-13(16)6-14(11-24)23(18,22)28/h5-7,11,13,16,18,25-26,28H,8-10H2,1-4H3/t13-,16-,18+,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)[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPhysalacriaceaeArmillaria mellea Ref.
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