input word = C00024224

Metabolite InformationStructural formula
Name (+)-Neoacrimarine-F
Formula C29H25NO9
Mw 531.15293141
CAS RN 195057-36-4
C_ID C00024224 ,
InChIKey VMABFFUJXPHEJX-LEFKRGDZNA-N
InChICode InChI=1S/C29H25NO9/c1-29(2)28(35)27(22-19(39-29)9-5-13-6-10-20(33)37-25(13)22)38-26-17(31)8-7-15-23(26)30(3)16-11-14(36-4)12-18(32)21(16)24(15)34/h5-12,27-28,31-32,35H,1-4H3/t27-,28-/m0/s1
SMILES COc1cc(O)c2c(=O)c3ccc(O)c(O[C@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@H]4O)c3n(C)c2c1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate L-Phe
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hybrid `Yalaha` Ref.
PlantaeRutaceaeCitrus paradisi x Citrus tangerina Ref.
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