input word = C00024221

Metabolite InformationStructural formula
Name (-)-Neoacrimarine-E
(-)-Neoacrimarine E
Neoacrimarine E
Formula C35H35NO9
Mw 613.23118172
CAS RN 158182-13-9
C_ID C00024221 ,
InChIKey XFTQVQSYVLDGDM-UHFFFAOYNA-N
InChICode InChI=1S/C35H35NO9/c1-9-34(2,3)26-31-17(11-13-22(38)44-31)30(40)24-18(15-35(4,5)45-33(24)26)23-21(42-7)14-19(37)25-28(23)36-27-16(29(25)39)10-12-20(41-6)32(27)43-8/h9-14,18,37,40H,1,15H2,2-8H3,(H,36,39)/t18-/m0/s1
SMILES C=CC(C)(C)c1c2c(c(O)c3ccc(=O)oc13)C(c1c(OC)cc(O)c3c(=O)c4ccc(OC)c(OC)c4[nH]c13)CC(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hybrids Ref.
PlantaeRutaceaeCitrus hybrid `Yalaha` Ref.
PlantaeRutaceaeCitrus paradisi Ref.
PlantaeRutaceaeCitrus paradisii x Citrus tangerina Ref.
PlantaeRutaceaeCitrus tangerina Ref.
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OrganismCitrus tangerina
ReferenceTakemura, Y. et al., Heterocycles, 1994, 38, 1937 (isol, uv, ir, pmr, cmr, ms, struct)