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15-oxo spinosyn macrolactone

Properties

Image

Occurences in reactions

MNX_ID

MNXM97373

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₄H₃₆O₆

charge

mass

420.25119

reference

metacycM:CPD-14627

InChIKey

ILKUAQQLYUILBR-OCDAIGKOSA-N

InChI

InChI=1S/C24H36O6/c1-3-21-13-10-15-23(28)18(2)22(27)14-9-12-20(26)17-19(25)11-7-5-4-6-8-16-24(29)30-21/h4-9,12,16,18-21,23,25-26,28H,3,10-11,13-15,17H2,1-2H3/b6-4+,7-5+,12-9+,16-8+/t18-,19+,20-,21-,23-/m0/s1

SMILES

CC[C@H]1CCC[C@H](O)[C@@H](C)C(=O)C/C=C/[C@H](O)C[C@H](O)C/C=C/C=C/C=C/C(=O)O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-14627 metacycM:CPD-14627	15-oxo spinosyn macrolactone (3E,5E,7E,10R,12R,13E,17R,18S,22S)-22-ethyl-10,12,18-trihydroxy-17-methyl-1-oxacyclodocosa-3,5,7,13-tetraene-2,16-dione
seed.compound:cpd33988 seedM:cpd33988	(3E,5E,7E,10R,12R,13E,17R,18S,22S)-22-ethyl-10,12,18-trihydroxy-17-methyl-1-oxacyclodocosa-3,5,7,13-tetraene-2,16-dione 15-oxo spinosyn macrolactone
seedM:M_cpd33988	secondary/obsolete/fantasy identifier