input word = C00054481

Metabolite InformationStructural formula
Name Avenic acid A
Formula C12H22N2O8
Mw 322.1376157
CAS RN 76224-57-2
C_ID C00054481
InChIKey QUKMQOBHQMWLLR-CIUDSAMLSA-N
InChICode InChI=1S/C12H22N2O8/c15-6-3-8(11(19)20)13-4-1-7(10(17)18)14-5-2-9(16)12(21)22/h7-9,13-16H,1-6H2,(H,17,18)(H,19,20)(H,21,22)/t7-,8-,9-/m0/s1
SMILES O=C(O)[C@H](CCO)NCC[C@H](NCC[C@H](O)C(=O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeAvena sativa Ref.
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