input word = C00044614

Metabolite InformationStructural formula
Name Catacerebroside A
Formula C49H91NO9
Mw 837.66938351
CAS RN 593261-18-8
C_ID C00044614 ,
InChIKey VEPQVIJEMBDTHV-IQGBWGRNNA-N
InChICode InChI=1S/C49H91NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-32-37-43(53)48(57)50-41(39-58-49-47(56)46(55)45(54)44(38-51)59-49)42(52)36-33-29-31-35-40(3)34-30-27-25-11-9-7-5-2/h13-14,33,35-36,41-47,49,51-56H,4-12,15-32,34,37-39H2,1-3H3,(H,50,57)/b14-13-,36-33+,40-35+/t41-,42+,43+,44+,45+,46-,47+,49+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]([C@H](O)/C=C/CC/C=C(\C)/CCCCCCCCC)NC(=O)[C@@H](CCCCCCCCCCCCCC/C=C\CCCCCC)O)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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