input word = C00028323

Metabolite InformationStructural formula
Name Halicylindroside B2
Formula C47H92N2O10
Mw 844.67519717
CAS RN 161842-91-7
C_ID C00028323 ,
InChIKey GJGSHIFAKSRQJN-UHFFFAOYNA-N
InChICode InChI=1S/C47H92N2O10/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-40(53)46(57)49-38(43(54)39(52)32-29-26-24-21-22-25-28-31-36(2)3)35-58-47-42(48-37(4)51)45(56)44(55)41(34-50)59-47/h36,38-45,47,50,52-56H,5-35H2,1-4H3,(H,48,51)(H,49,57)/t38-,39+,40+,41+,42+,43-,44-,45-,47+/m0/s1
SMILES [C@@H]1([C@@H]([C@@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)OC[C@H](NC(=O)[C@@H](CCCCCCCCCCCCCCCCCCCCC)O)[C@@H]([C@H](O)CCCCCCCCCC(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeHalichondria cylindrata Ref.
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