input word = C00001584

Metabolite InformationStructural formula
Name Betanin
Betacyanin
Formula C24H26N2O13
Mw 550.14348893
CAS RN 7659-95-2
C_ID C00001584 ,
InChIKey DHHFDKNIEVKVKS-CKOKNSEPNA-N
InChICode InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14-,17+,18+,19-,20+,24+/m0/s1
SMILES O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc1c(cc2c(c1)C[C@H](/[N+]/2=C\C=C\1/C[C@H](NC(=C1)C(=O)O)C(=O)O)C(=O)[O-])O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAizoaceaeCarpobrotus acinaciformis Ref.
PlantaeAizoaceaeDrosanthemum floribundum Ref.
PlantaeAizoaceaeMesembryanthemum spp. Ref.
PlantaeAmaranthaceaeAmaranthus mangostanus Ref.
PlantaeBasellaceaeBasella rubra Ref.
PlantaeCactaceaeHylocereus polyrhizus Ref.
PlantaeCactaceaeOpuntia bergeriana Ref.
PlantaeCactaceaeOpuntia elatior Ref.
PlantaeCactaceaeOpuntia ficus-indica Ref.
PlantaeCactaceaeSchlumbergera x buckleyi Ref.
PlantaeChenopodiaceaeBeta vulgaris Ref.
PlantaeChenopodiaceaeChenopodium quinoa Ref.
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaePhytolaccaceaePhytolacca americana Ref.
PlantaePortulacaceae/MontiaceaePortulaca grandiflora Ref.
--Centrospermae Ref.
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