input word = C00046146

Metabolite InformationStructural formula
Name Microsphaerone A
Formula C22H27NO8
Mw 433.17366685
CAS RN 437987-42-3
C_ID C00046146 ,
InChIKey VXFQAPGOPXEMPB-SCBCMVFHNA-N
InChICode InChI=1S/C22H27NO8/c1-15(22(29)30)12-19(25)23-21(28)17-14-31-16(13-18(17)24)10-8-6-4-2-3-5-7-9-11-20(26)27/h4,6,8,10,13-15H,2-3,5,7,9,11-12H2,1H3,(H,26,27)(H,29,30)(H,23,25,28)/b6-4+,10-8+/t15-/m0/s1
SMILES C[C@@H](CC(=O)NC(=O)c1coc(/C=C/C=C/CCCCCCC(=O)O)cc1=O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Lys
Organism
Kingdom Family Species Reference
--Microsphaeropsis sp. Ref.
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