input word = C00028387

Metabolite InformationStructural formula
Name Ingamine B
(+)-Ingamine B
Formula C30H44N2
Mw 432.35044942
CAS RN 156310-18-8
C_ID C00028387 ,
InChIKey NPETZHSJMVTIAM-HEQBYAJENA-N
InChICode InChI=1S/C30H44N2/c1-2-4-7-11-15-20-31-22-18-28-27-23-26(17-13-9-5-3-1)29-30(28,25-31)19-14-10-6-8-12-16-21-32(29)24-27/h1-2,5-7,9-11,23,27-29H,3-4,8,12-22,24-25H2/b2-1-,9-5+,10-6+,11-7?/t27-,28+,29+,30+/m0/s1
SMILES C12=C[C@@H]3[C@H]4CCN(CC/C=C/C/C=C\C/C=C/CC2)C[C@]24[C@@H]1N(C3)CCCC/C=C/CC2
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