input word = C00042391

Metabolite InformationStructural formula
Name cis-3,4-Dihydrohamacanthin B
(+)-cis-3,4-Dihydrohamacanthin B
Formula C20H16Br2N4O
Mw 485.96908696
CAS RN 264624-39-7
C_ID C00042391 ,
InChIKey OXVVLWOQGFZGEO-PVIFGLDDNA-N
InChICode InChI=1S/C20H16Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18-19,23-24,26H,9H2,(H,25,27)/t18-,19-/m0/s1
SMILES C1NC(=O)[C@@H](N[C@@H]1c1c2c([nH]c1)cc(cc2)Br)c1c[nH]c2c1ccc(c2)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Rhaphisia lacazei Ref.
--Spongosprites sp. Ref.
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OrganismSpongosprites sp.
ReferenceBao,J.Nat.Prod.,68,(2005),711