input word = C00052181

Metabolite InformationStructural formula
Name Acrignine A
Formula C30H29NO9
Mw 547.18423153
CAS RN 149155-25-9
C_ID C00052181
InChIKey YCYRMTDEEUGSQO-SKCUWOTOSA-N
InChICode InChI=1S/C30H29NO9/c1-30(2)9-8-15-19(40-30)12-17(33)23-24(15)31(3)25-16(26(23)34)6-7-18-29(25)39-22(13-32)28(38-18)14-10-20(36-4)27(35)21(11-14)37-5/h6-12,22,28,32-33,35H,13H2,1-5H3/t22-,28-/m1/s1
SMILES COc1cc([C@H]2Oc3ccc4c(=O)c5c(O)cc6c(c5n(C)c4c3O[C@@H]2CO)C=CC(C)(C)O6)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus grandis Ref.
PlantaeRutaceaeCitrus hybrid ''Yalaha'' Ref.
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