input word = C00024246

Metabolite InformationStructural formula
Name Citbismine-F
Formula C36H34N2O10
Mw 654.22134532
CAS RN 227596-37-4
C_ID C00024246 ,
InChIKey JDGHTURBZYYQPU-JUWBAMBKNA-N
InChICode InChI=1S/C36H34N2O10/c1-36(2,44)35-23(17-13-18-25(32(43)33(17)48-35)29(40)15-9-8-10-20(39)27(15)37(18)3)26-22(46-6)14-19-24(31(26)42)30(41)16-11-12-21(45-5)34(47-7)28(16)38(19)4/h8-14,23,35,39,42-44H,1-7H3/t23-,35+/m0/s1
SMILES COc1cc2c(c(O)c1[C@@H]1c3cc4c(c(O)c3O[C@H]1C(C)(C)O)c(=O)c1cccc(O)c1n4C)c(=O)c1ccc(OC)c(OC)c1n2C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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