input word = C00057036

Metabolite InformationStructural formula
Name Hv-NCC-1
Formula C35H42N4O10
Mw 678.29009359
CAS RN 135972-64-4
C_ID C00057036
InChIKey INOJDBSSBUQCKE-UHFFFAOYSA-N
InChICode InChI=1S/C35H42N4O10/c1-14-18(8-9-40)23(36-24(14)12-41)11-21-17(4)28-32(38-21)29(30(33(28)46)35(48)49-5)31-19(6-7-26(44)45)15(2)20(37-31)10-22-16(3)27(25(43)13-42)34(47)39-22/h12,22,25,29-30,36-38,40,42-43H,6-11,13H2,1-5H3,(H,39,47)(H,44,45)
SMILES COC(=O)C1C(=O)c2c([nH]c(Cc3[nH]c(C=O)c(C)c3CCO)c2C)C1c1[nH]c(CC2NC(=O)C(C(O)CO)=C2C)c(C)c1CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaePoaceaeHordeum vulgare Ref.
zoom in



OrganismHordeum vulgare
ReferenceKrautler, B. et al., Angew. Chem., Int. Ed., 1991, 30, 1315-1318 (Hv-NCC-1)