input word = C00019983

Metabolite InformationStructural formula
Name Neoacrimarine D
Formula C38H37NO8
Mw 635.25191717
CAS RN 155519-80-5
C_ID C00019983 ,
InChIKey BFIGFOVYMXCKHN-UHFFFAOYNA-N
InChICode InChI=1S/C38H37NO8/c1-9-36(2,3)27-34-20(13-14-23(41)45-34)31(43)24-21(17-38(6,7)47-35(24)27)25-32(44)26-29(19-15-16-37(4,5)46-33(19)25)39(8)28-18(30(26)42)11-10-12-22(28)40/h9-16,21,40,43-44H,1,17H2,2-8H3/t21-/m0/s1
SMILES c1ccc2c(c1O)n(c1c(c2=O)c(c(c2c1C=CC(O2)(C)C)[C@H]1CC(Oc2c1c(c1c(c2C(C)(C)C=C)oc(=O)cc1)O)(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate L-Phe
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hassaku Ref.
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OrganismCitrus hassaku
ReferenceTakamura,Chem. Pharm. Bull.,41,(1993),1757