input word = C00046098

Metabolite InformationStructural formula
Name Lyngbyaloside
Formula C31H49BrO10
Mw 660.25091069
CAS RN 196874-10-9
C_ID C00046098 ,
InChIKey RXKHKYLAQKUTIR-PGPCSLETNA-N
InChICode InChI=1S/C31H49BrO10/c1-18-11-10-13-24(33)19(2)25-16-23(41-30-28(38-7)27(37-6)26(36-5)21(4)39-30)17-31(35,42-25)20(3)29(34)40-22(15-18)12-8-9-14-32/h8-12,14,18-28,30,33,35H,13,15-17H2,1-7H3/b11-10-,12-8+,14-9+/t18-,19-,20-,21+,22-,23-,24+,25-,26+,27+,28-,30+,31+/m0/s1
SMILES C1/C=C\[C@@H](C[C@@H](OC(=O)[C@@H]([C@@]2(O[C@H]([C@H]([C@@H]1O)C)C[C@@H](C2)O[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1OC)OC)OC)C)O)C)/C=C/C=C/Br)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lyngbya bouillonii Ref.
--Lyngbya sp. Ref.
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