input word = C00045481

Metabolite InformationStructural formula
Name (+)-Xestospongin B
Formula C29H52N2O3
Mw 476.39779354
CAS RN 88840-01-1
C_ID C00045481 ,
InChIKey VJEURJNEIZLTJG-UHFFFAOYNA-N
InChICode InChI=1S/C29H52N2O3/c1-23-22-31-19-10-13-24-12-6-2-3-7-14-25-16-21-30-20-11-18-29(32,28(30)33-25)17-9-5-4-8-15-26(23)34-27(24)31/h23-28,32H,2-22H2,1H3/t23-,24+,25+,26+,27+,28-,29-/m0/s1
SMILES C1CN2[C@@H]3[C@@](C1)(CCCCCC[C@H]1O[C@@H]4[C@H](CCCCCC[C@@H](O3)CC2)CCCN4C[C@@H]1C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
AnimaliaPetrosiidaeXestospongia exigua Ref.
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OrganismXestospongia exigua
ReferenceOrabi,J.Nat.Prod.,65,(2002),1782