input word = C00057647

Metabolite InformationStructural formula
Name Zm-NCC-1
Formula C41H52N4O15
Mw 840.34291702
CAS RN 909119-27-3
C_ID C00057647
InChIKey RIMMUUJNTIPKDP-PUYOMFIASA-N
InChICode InChI=1S/C41H52N4O15/c1-15-19(8-9-59-41-38(55)37(54)35(52)27(14-48)60-41)24(42-25(15)12-46)11-22-18(4)30-34(44-22)31(32(36(30)53)40(57)58-5)33-20(6-7-28(50)51)16(2)21(43-33)10-23-17(3)29(26(49)13-47)39(56)45-23/h12,23,26-27,31-32,35,37-38,41-44,47-49,52,54-55H,6-11,13-14H2,1-5H3,(H,45,56)(H,50,51)/t23?,26?,27-,31?,32?,35-,37+,38-,41-/m1/s1
SMILES COC(=O)C1C(=O)c2c([nH]c(Cc3[nH]c(C=O)c(C)c3CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)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
PlantaePoaceaeZea mays Ref.
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