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spinosyn tricyclic macrolactone

Properties

Image

Occurences in reactions

MNX_ID

MNXM97609

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

formula

C₂₄H₃₄O₅

charge

mass

402.24062

reference

metacycM:CPD-14629

InChIKey

BINMOURRBYQUKD-MBPIVLONSA-N

InChI

InChI=1S/C24H34O5/c1-3-19-5-4-6-22(26)15(2)23(27)11-10-20-16(9-12-24(28)29-19)7-8-17-13-18(25)14-21(17)20/h7-12,15-22,25-26H,3-6,13-14H2,1-2H3/b11-10+,12-9+/t15-,16+,17-,18-,19+,20-,21-,22+/m1/s1

SMILES

CC[C@H]1CCC[C@H](O)[C@@H](C)C(=O)/C=C/[C@@H]2[C@@H](C=C[C@@H]3C[C@@H](O)C[C@@H]23)/C=C/C(=O)O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-14629 metacycM:CPD-14629	spinosyn tricyclic macrolactone (2R,3aS,5aS,10S,14S,15R,18aS,18bR)-10-ethyl-2,14-dihydroxy-15-methyl-1H,2H,3H,3aH,5aH,8H,10H,11H,12H,13H,14H,15H,16H,18aH,18bH-indeno[5,4-e]oxacyclopentadecane-8,16-dione
seed.compound:cpd35755 seedM:cpd35755	(2R,3aS,5aS,10S,14S,15R,18aS,18bR)-10-ethyl-2,14-dihydroxy-15-methyl-1H,2H,3H,3aH,5aH,8H,10H,11H,12H,13H,14H,15H,16H,18aH,18bH-indeno[5,4-e]oxacyclopentadecane-8,16-dione spinosyn tricyclic macrolactone
seedM:M_cpd35755	secondary/obsolete/fantasy identifier