input word = C00044615

Metabolite InformationStructural formula
Name Catacerebroside B
Formula C48H93NO10
Mw 843.6799482
CAS RN 593261-19-9
C_ID C00044615 ,
InChIKey NUBWPJRCBFPJEK-XDHDXDKNNA-N
InChICode InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h13,15,39-46,48,50-56H,3-12,14,16-38H2,1-2H3,(H,49,57)/b15-13-/t39-,40+,41+,42+,43-,44+,45-,46+,48+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(=O)[C@H](O)CCCCCCCCCCCCCC/C=C\CCCCCC)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiTricholomataceaeCatathelasma ventricosa Ref.
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