input word = C00057418

Metabolite InformationStructural formula
Name So-NCC-1
Formula C34H40N4O10
Mw 664.27444353
CAS RN 507224-87-5
C_ID C00057418
InChIKey XXIVMCFUBFKZND-UHFFFAOYSA-N
InChICode InChI=1S/C34H40N4O10/c1-13-17(7-8-39)22(35-23(13)11-40)10-20-16(4)27-31(37-20)28(29(32(27)45)34(47)48)30-18(5-6-25(43)44)14(2)19(36-30)9-21-15(3)26(24(42)12-41)33(46)38-21/h11,21,24,28-29,35-37,39,41-42H,5-10,12H2,1-4H3,(H,38,46)(H,43,44)(H,47,48)
SMILES O=CC(N1)=C(C)C(CCO)=C1CC2=C(C)C(C(C(C(O)=O)C3C4=C(CCC(O)=O)C(C)=C(CC5NC(C(C(CO)O)=C5C)=O)N4)=O)=C3N2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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