input word = C00028391

Metabolite InformationStructural formula
Name Isoaaptamine
Formula C13H12N2O2
Mw 228.08987764
CAS RN 117173-75-8
C_ID C00028391 ,
InChIKey MPBUGSHDXOJPKR-UHFFFAOYSA-N
InChICode InChI=1S/C13H12N2O2/c1-15-6-4-9-11-8(3-5-14-9)7-10(17-2)13(16)12(11)15/h3-7,16H,1-2H3
SMILES COc1cc2ccnc3c2c(c1O)N(C)C=C3
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaPetrosiidaeXestospongia sp. Ref.
AnimaliaSuberitidaeAaptos aaptos Ref.
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