input word = C00047890

Metabolite InformationStructural formula
Name Flustramine O
(-)-Flustramine O
Formula C33H42Br2N4
Mw 652.17762317
CAS RN 1187956-31-5
C_ID C00047890 ,
InChIKey YBRPFYGCUNUSTC-AZIHMEMTNA-N
InChICode InChI=1S/C33H42Br2N4/c1-9-30(3,4)32-15-17-36(7)28(32)38(26-19-22(34)11-13-24(26)32)21-39-27-20-23(35)12-14-25(27)33(31(5,6)10-2)16-18-37(8)29(33)39/h9-14,19-20,28-29H,1-2,15-18,21H2,3-8H3/t28-,29-,32-,33-/m1/s1
SMILES C=CC(C)(C)[C@@]12CCN(C)[C@@H]1N(CN1c3cc(Br)ccc3[C@]3(C(C)(C)C=C)CCN(C)[C@H]13)c1cc(Br)ccc12
Start Substs in Alk. Biosynthesis (Prediction) L-His
Organism
Kingdom Family Species Reference
--Flustra foliacea Ref.
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