input word = C00038106

Metabolite InformationStructural formula
Name (S)-Hamacanthin A
(+)-Hamacanthin A
Formula C20H14Br2N4O
Mw 483.9534369
CAS RN 160098-92-0
C_ID C00038106 ,
InChIKey LJVUNJVGWMVCQH-LGWFVXIRNA-N
InChICode InChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-19(20(27)26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18,23-24H,9H2,(H,26,27)/t18-/m1/s1
SMILES [C@H]1(NC(=O)C(=NC1)c1c[nH]c2c1ccc(c2)Br)c1c[nH]c2c1ccc(c2)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeSpongosorites sp. Ref.
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OrganismSpongosorites sp.
ReferenceBao,J.Nat.Prod.,70,(2007),2