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 CC1=C(C=O)NC(CC2=C(C)C(C(C(C(OC)=O)C3C4=C(CCC(O)=O)C(C)=C(CC5NC(C(C(O)CO)=C5C)=O)N4)=O)=C3N2)=C1CCO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaePoaceaeHordeum vulgare Ref.
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