input word = C00060013

Metabolite InformationStructural formula
Name (2E)-2-Methyl-4-(9H-purin-6-ylamino)-2-buten-1-yl beta-D-glucopyranosiduronic acid
Formula C16H21N5O7
Mw 395.14409806
CAS RN 147663-51-2
C_ID C00060013
InChIKey SVCYESPMNBVMGC-HMGNBDKRSA-N
InChICode InChI=1S/C16H21N5O7/c1-7(2-3-17-13-8-14(19-5-18-8)21-6-20-13)4-27-16-11(24)9(22)10(23)12(28-16)15(25)26/h2,5-6,9-12,16,22-24H,3-4H2,1H3,(H,25,26)(H2,17,18,19,20,21)/b7-2+/t9-,10-,11+,12-,16+/m0/s1
SMILES CC(=CCNc1ncnc2nc[nH]c12)COC1OC(C(=O)O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycopersicum Ref.
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