input word = C00028386

Metabolite InformationStructural formula
Name Ingamine A
(+)-Ingamine A
Formula C30H44N2O
Mw 448.34536404
CAS RN 15610-17-7
C_ID C00028386 ,
InChIKey QESBCAGTXAIIFT-PVBPQDLKNA-N
InChICode InChI=1S/C30H44N2O/c33-27-23-31-19-15-11-7-4-2-1-3-5-9-13-17-25-21-26-22-32-20-16-12-8-6-10-14-18-30(24-31,28(26)27)29(25)32/h1-2,5-7,9-11,21,26-29,33H,3-4,8,12-20,22-24H2/b2-1-,9-5+,10-6+,11-7+/t26?,27-,28+,29-,30-/m1/s1
SMILES C12=C[C@@H]3[C@H]4[C@@H](CN(CC/C=C/C/C=C\C/C=C/CC2)C[C@]24[C@@H]1N(C3)CCCC/C=C/CC2)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
AnimaliaPetrosiidaeXestospongia ingeus Ref.
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OrganismXestospongia ingeus
ReferenceKong,Tetrahedron,50,(1994),6137