input word = C00002138

Metabolite InformationStructural formula
Name Atalanine
Formula C34H30N2O9
Mw 610.19513057
CAS RN 50906-85-9
C_ID C00002138 ,
InChIKey PLAXYWZLYBHIDB-LONTWWBWNA-N
InChICode InChI=1S/C34H30N2O9/c1-14(2)34-33(42)26-23(45-34)13-20(38)25-29(26)36(4)27-16(31(25)40)7-6-8-21(27)44-22-10-9-17-28(32(22)41)35(3)18-11-15(43-5)12-19(37)24(18)30(17)39/h6-14,33-34,37-38,41-42H,1-5H3/t33-,34+/m0/s1
SMILES c1cc(c2c(c1)c(=O)c1c(n2C)c2c(cc1O)O[C@@H]([C@H]2O)C(C)C)Oc1ccc2c(=O)c3c(cc(cc3n(c2c1O)C)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRutaceaeAtalantia ceylanica Ref.
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