input word = C00046713

Metabolite InformationStructural formula
Name Debromoaplysiatoxin
Formula C32H48O10
Mw 592.32474775
CAS RN 52423-28-6
C_ID C00046713 ,
InChIKey REAZZDPREXHWNV-UHFFFAOYNA-N
InChICode InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21-,24+,25+,26-,29+,31+,32-/m1/s1
SMILES COC(CCC(C)C1OC23CC(OC(=O)CC(C(C)O)OC(=O)CC(O)(O2)C(C)CC3(C)C)C1C)c1cccc(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lyngbya majuscula Ref.
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OrganismLyngbya majuscula
ReferenceMitchell,J.Nat.Prod.,63,(2000),279