input word = C00032693

Metabolite InformationStructural formula
Name Acanthacerebroside B
Formula C44H87NO10
Mw 789.63299801
CAS RN 110744-72-4
C_ID C00032693 ,
InChIKey KQYMTELMIRHEAQ-KJSIOURYNA-N
InChICode InChI=1S/C44H87NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-37(48)43(53)45-35(34-54-44-42(52)41(51)40(50)38(33-46)55-44)39(49)36(47)31-29-27-25-23-14-12-10-8-6-4-2/h35-42,44,46-52H,3-34H2,1-2H3,(H,45,53)/t35-,36+,37+,38+,39-,40+,41-,42+,44+/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCC)O)O)NC(=O)[C@@H](CCCCCCCCCCCCCCCCCCCC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
AnimaliaLuidiidaeLuidia maculata Ref.
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OrganismLuidia maculata
ReferenceKawatake,Chem.Pharm.Bull.,52,(2004),1092