input word = C00001602

Metabolite InformationStructural formula
Name Muscapurpurin
Formula C18H14N2O10
Mw 418.06484468
CAS RN 12624-19-0
C_ID C00001602 ,
InChIKey KAUZSNIDLZSFSR-DUJBIPCPNA-N
InChICode InChI=1S/C18H14N2O10/c21-14(22)9-3-7(4-10(19-9)15(23)24)1-2-20-11(16(25)26)5-8-6-12(17(27)28)30-18(29)13(8)20/h1-3,6,10-11H,4-5H2,(H4,21,22,23,24,25,26,27,28)/t10-,11-/m0/s1
SMILES O=C(O)C1=C/C(=C/C=[N+]2/c3c(cc(C(=O)O)oc3=O)C[C@H]2C(=O)[O-])C[C@@H](C(=O)O)N1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
FungiAmanitaceaeAmanita muscaria Ref.
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