input word = C00053754

Metabolite InformationStructural formula
Name Rubropunctamine
9a-Methyl-3-(1-oxohexyl)-6-(1-propenyl)furo[3,2-g]isoquinoline-2,9(7H,9aH)-dione
Formula C21H23NO4
Mw 353.16270823
CAS RN 514-66-9
C_ID C00053754
InChIKey OVOAWDOEFJNCGI-WKOQKXSESA-N
InChICode InChI=1S/C21H23NO4/c1-4-6-7-9-17(23)18-16-11-13-10-14(8-5-2)22-12-15(13)19(24)21(16,3)26-20(18)25/h5,8,10-12,22H,4,6-7,9H2,1-3H3/b8-5+/t21-/m1/s1
SMILES C/C=C/C1=CC2=CC3=C(C(=O)CCCCC)C(=O)O[C@@]3(C)C(=O)C2=CN1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiElaphomycetaceaeMonascus anka Ref.
FungiElaphomycetaceaeMonascus pilosus Ref.
FungiElaphomycetaceaeMonascus purpureus Ref.
FungiElaphomycetaceaeMonascus purpureus DSM1379 Ref.
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OrganismMonascus purpureus DSM1379
ReferenceGao, J-M. et al., Chem. Rev., 113, (2013), 4755-4811.