input word = C00028828

Metabolite InformationStructural formula
Name Phlegmariurine C
Formula C32H44N2O4
Mw 520.33010791
CAS RN 115491-58-2
C_ID C00028828 ,
InChIKey MJIROACEKGJSGD-UHFFFAOYNA-N
InChICode InChI=1S/C32H44N2O4/c1-19-15-25-21-7-3-11-33(27(35)17-19)13-5-9-23(21)31(37)29(25)30-26-16-20(2)18-28(36)34-12-4-8-22(26)24(32(30)38)10-6-14-34/h19-20,23-24,29-30H,3-18H2,1-2H3/t19-,20+,23-,24-,29+,30+/m0/s1
SMILES [C@@H]1(CC(=O)N2CCC[C@H]3C(=C(C1)[C@@H](C3=O)[C@H]1C3=C4[C@@H](C1=O)CCCN(C(=O)C[C@H](C3)C)CCC4)CCC2)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
PlantaeLycopodiaceaePhlegmariurus fordii Ref.
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OrganismPhlegmariurus fordii
ReferenceChu,Yaoxue Xuebao,23,(1988),115