input word = C00041566

Metabolite InformationStructural formula
Name Gracilarioside
Formula C49H93NO10
Mw 855.6799482
CAS RN 916217-59-9
C_ID C00041566 ,
InChIKey TVQMRUDVRPMEND-WVFSQFHMNA-N
InChICode InChI=1S/C49H93NO10/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-34-42(53)48(58)50-40(37-59-49-47(57)46(56)45(55)43(36-51)60-49)44(54)41(52)33-29-27-24-25-28-32-39-35-38(39)31-6-4-2/h27,29,38-47,49,51-57H,3-26,28,30-37H2,1-2H3,(H,50,58)/b29-27+/t38-,39-,40-,41+,42+,43+,44-,45+,46-,47+,49+/m0/s1
SMILES O(C[C@@H]([C@@H]([C@@H](C/C=C\CCCC[C@@H]1[C@@H](CCCC)C1)O)O)NC(=O)[C@@H](CCCCCCCCCCCCCCCCCCCCCCC)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--GracilariaceaeGracilaria asiatica Ref.
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