input word = C00040072

Metabolite InformationStructural formula
Name Pristimerine
Formula C30H38O6
Mw 494.26683895
CAS RN 229181-06-0
C_ID C00040072 ,
InChIKey FATJTRUVRFSESL-NCPXSQATNA-N
InChICode InChI=1S/C30H38O6/c1-16-17-8-9-20-27(3,18(17)12-19(31)24(16)34)10-11-29(5)21-13-28(4,25(35)36-7)22(32)14-26(21,2)15-23(33)30(20,29)6/h8-9,12,21,23,33-34H,10-11,13-15H2,1-7H3/t21-,23+,26-,27+,28+,29+,30+/m1/s1
SMILES C1[C@@H]2[C@](CC(=O)[C@]1(C(=O)OC)C)(C[C@@H]([C@]1([C@]2(CC[C@@]2(C1=CC=C1C2=CC(=O)C(=C1C)O)C)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeHippocratea excelsa Ref.
PlantaeCelastraceaeMaytenus catingarum Ref.
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OrganismHippocratea excelsa
ReferenceMens-Rejon,J.Nat.Prod.,70,(2007),863