Met004130: Bromophycolide D
Metabolite Information
Name
Bromophycolide D
IUPAC Name
(3R,7S,8S,11R,12S,15S)-7,11-dibromo-15-(2-bromopropan-2-yl)-12,21-dihydroxy-8,12-dimethyl-4-methylidene-16-oxatricyclo[16.3.1.03,8]docosa-1(21),18(22),19-trien-17-one
Molecular Formula
C27H37Br3O4
Molecular Weight
665.3
Exact Mass
664.02215
SMILES
CC12CCC(C(CCC(OC(=O)C3=CC(=C(C=C3)O)CC1C(=C)CCC2Br)C(C)(C)Br)(C)O)Br
InChIKey
FSMLSBUFRKSDGX-AVUAXDHISA-N
InChI
InChI=1S/C27H37Br3O4/c1-16-6-9-21(28)26(4)12-10-22(29)27(5,33)13-11-23(25(2,3)30)34-24(32)17-7-8-20(31)18(14-17)15-19(16)26/h7-8,14,19,21-23,31,33H,1,6,9-13,15H2,2-5H3/t19-,21+,22-,23+,26+,27+/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Phenylpropanoids and polyketides
Class:
Macrolides and analogues
Subclass:
NA
Crops containing this metabolite
cucumber
Metabolite Spectrum Accession Label