input word = C00050312

Metabolite InformationStructural formula
Name Temnoside B
Formula C48H95NO8
Mw 813.70576902
CAS RN 191731-31-4
C_ID C00050312 ,
InChIKey QGIBZDMLHXRKDN-GKNYCMOJNA-N
InChICode InChI=1S/C48H95NO8/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h41-43,45-48,50-51,53-55H,3-40H2,1-2H3,(H,49,52)/t41-,42+,43+,45+,46-,47+,48+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]([C@@H](CCCCCCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCCCCCC)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Temnopleurus toreumaticus Ref.
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