input word = C00019981

Metabolite InformationStructural formula
Name Neoacrimarine B
Formula C39H41NO9
Mw 667.27813192
CAS RN 149301-47-3
C_ID C00019981 ,
InChIKey LOTKMARBSZKWMQ-UHFFFAOYNA-N
InChICode InChI=1S/C39H41NO9/c1-11-37(3,4)21-15-19-32(44)26-20(17-39(7,8)49-35(26)28(38(5,6)12-2)33(19)48-36(21)45)25-24(46-9)16-23(42)27-30(25)40-29-18(31(27)43)13-14-22(41)34(29)47-10/h11-16,20,41-42,44H,1-2,17H2,3-10H3,(H,40,43)/t20-/m0/s1
SMILES c1c(c(c2c(c1O)c(=O)c1c([nH]2)c(c(cc1)O)OC)[C@H]1c2c(OC(C1)(C)C)c(c1c(c2O)cc(c(=O)o1)C(C)(C)C=C)C(C)(C)C=C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hybrids Ref.
PlantaeRutaceaeCitrus sp. Ref.
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