input word =
C00041365
Metabolite Information
Structural formula
Name
Asteriacerebroside B
(+)-Asteriacerebroside B
Formula
C44H83NO9
Mw
769.60678326
CAS RN
134178-89-5
C_ID
C00041365 ,
InChIKey
QXMXPDMLWUVHFC-ILKMDLIANA-N
InChICode
InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(47)36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)45-43(52)38(48)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h17-18,30,32,36-42,44,46-51H,3-16,19-29,31,33-35H2,1-2H3,(H,45,52)/b18-17-,32-30+/t36-,37+,38+,39+,40+,41-,42+,44+/m0/s1
SMILES
[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H](/C=C/CCCCCCC/C=C\CCCCCCCC)O)NC(=O)[C@@H](CCCCCCCCCCCCCC)O
Start Substs in Alk. Biosynthesis (Prediction)
L-Pro
L-Lys
L-Arg
L-Ala
Organism
Kingdom
Family
Species
Reference
Plantae
Flacourtiaceae
Asterias amurensis Lutken
Ref.
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