input word = C00001583

Metabolite InformationStructural formula
Name Betanidin
Formula C18H16N2O8
Mw 388.0906655
CAS RN 2181-76-2
C_ID C00001583 ,
InChIKey CTHQHPKTKHKDNO-LDGXTIHJNA-M
InChICode InChI=1S/C18H17N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13,19,21-22H,4-5H2,(H,23,24)(H,25,26)(H,27,28)/q+2/p-1/t11-/m0/s1
SMILES C(=C\1/C[C@H](NC(=C1)C(=O)O)C(=O)O)/C=[N+]/1\[C@@](Cc2c1cc(c(c2)O)O)C(=O)[O-]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAizoaceaeMesembryanthemum edule Ref.
PlantaeAmaranthaceaeAmaranthus mangostanus Ref.
PlantaeBasellaceaeBasella rubra Ref.
PlantaeCactaceaeOpuntia elatior Ref.
PlantaeCactaceaeOpuntia ficus-indica Ref.
PlantaeCaryophyllalesBeta vulgaris Ref.
PlantaeChenopodiaceaeChenopodium quinoa Ref.
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaePortulacaceae/MontiaceaePortulaca grandiflora Ref.
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OrganismBasella rubra
ReferenceS.S.Kumar et al,J.Food Sci.Technol.,52(2015),4994-5002