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 CO[C@H]1[C@H](OC)[C@@H](O[C@H]2C[C@@H]3O[C@](O)(C2)C(C)C(=O)OC(/C=C/C=C/Br)CC(C)/C=CCC(O)C3C)O[C@H](C)[C@H]1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lyngbya bouillonii Ref.
--Lyngbya sp. Ref.
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OrganismLyngbya bouillonii
ReferenceKlein,J.Nat.Prod.,60,(1997),1057