input word = C00018293

Metabolite InformationStructural formula
Name C2-epi-Hygromycin A
Formula C23H29NO12
Mw 511.1689754
CAS RN 397249-69-3
C_ID C00018293 ,
InChIKey YQYJSBFKSSDGFO-FLEIBLRSNA-N
InChICode InChI=1S/C23H29NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h3-6,13-21,23,26-31H,7H2,1-2H3,(H,24,32)/b8-5+/t13-,14+,15-,16-,17-,18-,19+,20+,21-,23-/m1/s1
SMILES O(c1ccc(cc1O)/C=C(/C(=O)N[C@@H]1[C@@H]([C@H]([C@@H]2[C@H]([C@@H]1O)OCO2)O)O)\C)[C@H]1[C@@H]([C@@H](O)[C@H](C(=O)C)O1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaCorynebacteriaceaeCorynebacterium equi NO. 2841 Ref.
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