input word = C00028539

Metabolite InformationStructural formula
Name Madangamine B
Formula C30H44NO2
Mw 450.33720466
CAS RN 203060-01-9
C_ID C00028539 ,
InChIKey KUMBPXIFTSDSMO-YOSYRNMVNA-N
InChICode InChI=1S/C30H44N2/c1-2-4-7-11-15-19-31-23-27-21-26-17-13-9-5-8-12-16-20-32-25-30(24-31,18-14-10-6-3-1)28(27)22-29(26)32/h1-2,5,7,9-11,14,17,27-29H,3-4,6,8,12-13,15-16,18-25H2/b2-1-,9-5-,11-7-,14-10+,26-17-/t27-,28-,29+,30-/m1/s1
SMILES C1N2C[C@@H]3[C@@H]4[C@@]1(C/C=C/CC/C=C\C/C=C\CC2)CN1[C@H](/C(=C\C/C=C\CCCC1)/C3)C4
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
AnimaliaPetrosiidaeXestospongia ingens Ref.
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OrganismXestospongia ingens
ReferenceKong,J.Nat.Prod.,61,(1998),267