input word = C00028327

Metabolite InformationStructural formula
Name Halicylindroside B6
Formula C49H96N2O10
Mw 872.7064973
CAS RN 161842-95-1
C_ID C00028327 ,
InChIKey JIULYTZUDMNSDU-UHFFFAOYNA-N
InChICode InChI=1S/C49H96N2O10/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-35-42(55)48(59)51-40(37-60-49-44(50-39(4)53)47(58)46(57)43(36-52)61-49)45(56)41(54)34-31-28-25-22-20-19-21-24-27-30-33-38(2)3/h38,40-47,49,52,54-58H,5-37H2,1-4H3,(H,50,53)(H,51,59)/t40-,41-,42+,43+,44+,45-,46+,47-,49+/m1/s1
SMILES CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1NC(C)=O)C(O)C(O)CCCCCCCCCCCCC(C)C
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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