input word = C00059560

Metabolite InformationStructural formula
Name 2,15,17-Tridecarboxy-2,3-dehydroneobetanin
Formula C21H22N2O7
Mw 414.14270107
CAS RN 1286196-07-3
C_ID C00059560
InChIKey RHEHUJTWWWUUHE-YMQHIKHWSA-N
InChICode InChI=1S/C21H22N2O7/c24-11-17-18(26)19(27)20(28)21(30-17)29-16-9-13-4-8-23(14(13)10-15(16)25)7-3-12-1-5-22-6-2-12/h1-10,17-21,24-28H,11H2/t17-,18-,19+,20-,21-/m1/s1
SMILES OCC1OC(Oc2cc3ccn(C=Cc4ccncc4)c3cc2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
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