input word = C00044394

Metabolite InformationStructural formula
Name (-)-Spirocalcaridine B
Formula C20H23N3O4
Mw 369.16885625
CAS RN 568561-22-8
C_ID C00044394 ,
InChIKey LOCCWLUEAKXVJT-BZLUIEEDNA-N
InChICode InChI=1S/C20H23N3O4/c1-23-17(21)22-20(27-3)16(13-4-6-15(26-2)7-5-13)18(12-19(20,23)25)10-8-14(24)9-11-18/h4-11,16,25H,12H2,1-3H3,(H2,21,22)/t16-,19+,20-/m1/s1
SMILES C1(=N[C@@]2([C@](N1C)(C[C@@]1([C@H]2c2ccc(cc2)OC)C=CC(=O)C=C1)O)OC)N
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
--Leucetta sp. Ref.
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OrganismLeucetta sp.
ReferenceEdrada,J.Nat.Prod.,66,(2003),939