input word = C00053493

Metabolite InformationStructural formula
Name Monaphilone B
Formula C20H28O4
Mw 332.19875938
CAS RN 1239131-94-2
C_ID C00053493
InChIKey CSEZJTMVEKOTTH-KRSZBIKMSA-N
InChICode InChI=1S/C20H28O4/c1-4-6-7-9-16(21)12-15-10-14-11-17(8-5-2)24-13-18(14)19(22)20(15,3)23/h5,8,11,15,23H,4,6-7,9-10,12-13H2,1-3H3/b8-5+/t15-,20-/m1/s1
SMILES C/C=C/C1=CC2=C(CO1)C(=O)[C@](C)(O)[C@@H](CC(=O)CCCCC)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiElaphomycetaceaeMonascus purpureus NTU 568 Ref.
FungiElaphomycetaceaeMonascus ruber NTU568 Ref.
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OrganismMonascus purpureus NTU 568
ReferenceHsu, Y.-W. et al., J. Agric. Food Chem., 2010, 58, 8211-8216 (Monaphilone B)