input word = C00064309

Metabolite InformationStructural formula
Name Betalain
Formula
Mw 0.
CAS RN 37279-84-8
C_ID C00064309
InChIKey DHHFDKNIEVKVKS-MLZDZRTESA-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+/m1/s1
SMILES O=C(O)C1=CC(=CC=[N+]2c3cc(O)c(OC4OC(CO)C(O)C(O)C4O)cc3CC2C(=O)[O-])CC(C(=O)O)N1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes aspera Ref.
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