input word = C00015939

Metabolite InformationStructural formula
Name Macrolactin M
Formula C25H36O5
Mw 416.25627426
CAS RN 200625-26-9
C_ID C00015939 ,
InChIKey PNIHJNURJFVDOY-NWZQWAKNNA-N
InChICode InChI=1S/C25H36O5/c1-2-24-18-12-5-3-4-8-16-22(27)20-23(28)17-11-6-9-14-21(26)15-10-7-13-19-25(29)30-24/h3-4,6-11,13-14,16,19,21-24,26-28H,2,5,12,15,17-18,20H2,1H3/b4-3+,10-7+,11-6-,14-9+,16-8+,19-13+/t21-,22-,23-,24+/m1/s1
SMILES C\1=C/C=C\C[C@H](C[C@@H](/C=C/C=C/CCC[C@@H](OC(=O)/C=C/C=C/C[C@@H]1O)CC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus sp. PP19-H3 Ref.
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