input word = C00044950

Metabolite InformationStructural formula
Name Myrocin A
Formula C20H22O6
Mw 358.14163844
CAS RN 723302-27-0
C_ID C00044950 ,
InChIKey XKJPVKHJPNQLKG-ZCMONXMLNA-N
InChICode InChI=1S/C20H22O6/c1-4-17(2)8-11-13(22)14(23)15-18(3,16(24)25)6-5-10-7-19(10,15)20(11,26)12(21)9-17/h4,8,10,23,26H,1,5-7,9H2,2-3H3,(H,24,25)/t10-,17+,18-,19-,20-/m1/s1
SMILES C=C[C@@]1(C)C=C2C(=O)C(O)=C3[C@](C)(C(=O)O)CC[C@@H]4C[C@]34[C@]2(O)C(=O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiApiosporaceaeApiospora montagnei Ref.
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