input word = C00050311

Metabolite InformationStructural formula
Name Temnoside A
(+)-Temnoside A
Formula C49H97NO9
Mw 843.7163337
CAS RN 191731-30-3
C_ID C00050311 ,
InChIKey GCXIXAHRVCWMFY-QBAJKWIFNA-N
InChICode InChI=1S/C49H97NO9/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(53)48(57)50-41(40-58-49-47(56)46(55)45(54)44(39-51)59-49)42(52)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h41-47,49,51-56H,3-40H2,1-2H3,(H,50,57)/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](CCCCCCCCCCCCCCCCC)O)NC(=O)[C@@H](CCCCCCCCCCCCCCCCCCCCC)O)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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