input word = C00048584

Metabolite InformationStructural formula
Name 21,22-Dihydroxyonnamide A1
Formula C39H65N5O14
Mw 827.45280182
CAS RN 1080024-57-2
C_ID C00048584 ,
InChIKey XAFCNBUPFXGRRK-YWHVSISBNA-N
InChICode InChI=1S/C39H65N5O14/c1-21-19-39(54-7,58-23(3)22(21)2)32(49)34(50)44-35-31-30(55-20-56-35)33(53-6)38(4,5)28(57-31)18-24(45)12-10-15-27(47)26(46)14-8-9-16-29(48)43-25(36(51)52)13-11-17-42-37(40)41/h8-9,14,16,22-28,30-33,35,45-47,49H,1,10-13,15,17-20H2,2-7H3,(H,43,48)(H,44,50)(H,51,52)(H4,40,41,42)/b14-8+,16-9+/t22-,23-,24-,25+,26+,27-,28-,30+,31-,32-,33-,35+,39-/m1/s1
SMILES [C@H]1(C(=C)C[C@@](O[C@@H]1C)([C@@H](C(=O)N[C@H]1OCO[C@H]2[C@H]1O[C@@H](C([C@@H]2OC)(C)C)C[C@@H](CCC[C@H]([C@H](/C=C/C=C/C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)O)O)O)O)OC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro Cholesterol
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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