input word = C00046842

Metabolite InformationStructural formula
Name Oscillatoxin A
Formula C31H46O10
Mw 578.30909769
CAS RN 66671-95-2
C_ID C00046842 ,
InChIKey GKTXURNRIDXUNG-UHFFFAOYNA-N
InChICode InChI=1S/C31H46O10/c1-18(10-11-24(37-6)21-8-7-9-22(33)12-21)28-20(3)25-15-31(40-28)29(4,5)14-19(2)30(36,41-31)16-27(35)38-23(17-32)13-26(34)39-25/h7-9,12,18-20,23-25,28,32-33,36H,10-11,13-17H2,1-6H3/t18-,19-,20-,23+,24-,25+,28-,30+,31-/m0/s1
SMILES COC(CCC(C)C1OC23CC(OC(=O)CC(CO)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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