input word = C00057249

Metabolite InformationStructural formula
Name So-NCC-3
Formula C34H38N4O8
Mw 630.26896422
CAS RN 216318-80-8
C_ID C00057249
InChIKey YPLJVRLRZHFNIJ-UHFFFAOYSA-N
InChICode InChI=1S/C34H38N4O8/c1-6-18-14(2)22(38-33(18)44)11-21-16(4)20(7-8-26(41)42)30(36-21)28-29(34(45)46)32(43)27-17(5)23(37-31(27)28)12-24-19(9-10-39)15(3)25(13-40)35-24/h6,13,22,28-29,35-37,39H,1,7-12H2,2-5H3,(H,38,44)(H,41,42)(H,45,46)
SMILES CC1=C(C=O)NC(CC2=C(C)C(C(C(C(O)=O)C3C4=C(CCC(O)=O)C(C)=C(CC5NC(C(C=C)=C5C)=O)N4)=O)=C3N2)=C1CCO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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