input word = C00019982

Metabolite InformationStructural formula
Name Neoacrimarine C
Formula C33H29NO9
Mw 583.18423153
CAS RN 155519-79-2
C_ID C00019982 ,
InChIKey NQAQWRPJTRYUKE-RFTMCNCJNA-N
InChICode InChI=1S/C33H29NO9/c1-32(2)13-12-16-21(42-32)14-19(36)23-25(16)34(5)26-17(27(23)38)8-9-18(35)29(26)41-30-24-20(43-33(3,4)31(30)39)10-6-15-7-11-22(37)40-28(15)24/h6-14,30-31,35-36,39H,1-5H3/t30-,31-/m0/s1
SMILES c1(ccc2c(c1O[C@H]1c3c(OC([C@H]1O)(C)C)ccc1c3oc(=O)cc1)n(c1c(c2=O)c(cc2c1C=CC(O2)(C)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hassaku Ref.
PlantaeRutaceaeCitrus hybrid ''Yalaha'' Ref.
zoom in