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 COc1cc(O)c2c(=O)c3ccc(Oc4cccc5c(=O)c6c(O)cc7c(c6n(C)c45)[C@H](O)[C@@H](C(C)C)O7)c(O)c3n(C)c2c1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRutaceaeAtalantia ceylanica Ref.
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OrganismAtalantia ceylanica
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter27