input word = C00024220

Metabolite InformationStructural formula
Name (-)-Neoacrimarine-J
Formula C28H23NO9
Mw 517.13728134
CAS RN 217199-08-1
C_ID C00024220 ,
InChIKey LCGFAZIBUURPDA-OBXPXUJENA-N
InChICode InChI=1S/C28H23NO9/c1-28(2)27(34)26(21-18(38-28)8-4-12-5-9-19(32)36-24(12)21)37-25-16(30)7-6-14-22(25)29-15-10-13(35-3)11-17(31)20(15)23(14)33/h4-11,26-27,30-31,34H,1-3H3,(H,29,33)/t26-,27-/m0/s1
SMILES c1(ccc2c(c1O[C@H]1c3c(OC([C@H]1O)(C)C)ccc1c3oc(=O)cc1)[nH]c1c(c2=O)c(cc(c1)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate L-Phe
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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