input word = C00019980

Metabolite InformationStructural formula
Name Neoacrimarine A
Formula C40H43NO9
Mw 681.29378198
CAS RN 149301-45-1
C_ID C00019980 ,
InChIKey MHPPNTXKFWUDIA-UHFFFAOYNA-N
InChICode InChI=1S/C40H43NO9/c1-12-38(3,4)22-16-20-33(44)27-21(18-40(7,8)50-36(27)29(39(5,6)13-2)34(20)49-37(22)45)26-25(47-10)17-23(42)28-31(26)41-30-19(32(28)43)14-15-24(46-9)35(30)48-11/h12-17,21,42,44H,1-2,18H2,3-11H3,(H,41,43)/t21-/m1/s1
SMILES C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)CC3c1c(OC)cc(O)c2c(=O)c3ccc(OC)c(OC)c3[nH]c12
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hybrids Ref.
PlantaeRutaceaeCitrus paradisii x Citrus tangerina Ref.
PlantaeRutaceaeCitrus sp. Ref.
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OrganismCitrus hybrids
ReferenceNatural Products Vol.1 ISBN978-3-642-22143-9