input word = C00016508

Metabolite InformationStructural formula
Name RD 01A3
Salfredin A3
Formula C18H19NO9
Mw 393.10598121
CAS RN 139542-53-3
C_ID C00016508 ,
InChIKey LUQQOGMISYEYQI-UHFFFAOYNA-N
InChICode InChI=1S/C18H19NO9/c1-7(17(24)25)12-5-9-13(28-12)4-8-10(15(9)22)6-19(16(8)23)11(18(26)27)2-3-14(20)21/h4,7,11-12,22H,2-3,5-6H2,1H3,(H,20,21)(H,24,25)(H,26,27)/t7-,11-,12-/m1/s1
SMILES C1(=O)N(Cc2c1cc1c(c2O)C[C@@H](O1)[C@H](C(=O)O)C)[C@H](CCC(=O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
FungiNidulariaceaeCrucibulum sp. RF-3817 Ref.
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