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2',3'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone

Properties

Image

Occurences in reactions

MNX_ID

MNXM97378

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

formula

C₃₂H₄₈O₉

charge

mass

576.32983

reference

metacycM:CPD-14633

InChIKey

XDCIOTHEPAPFRV-LIFZQOIMSA-N

InChI

InChI=1S/C32H48O9/c1-6-19-8-7-9-26(33)16(2)28(35)25-14-23-21(24(25)15-27(34)40-19)11-10-18-12-20(13-22(18)23)41-32-31(38-5)30(37-4)29(36)17(3)39-32/h10-11,14,16-24,26,29-33,36H,6-9,12-13,15H2,1-5H3/t16-,17+,18-,19+,20-,21-,22-,23-,24+,26+,29+,30-,31-,32+/m1/s1

SMILES

CC[C@H]1CCC[C@H](O)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-14633 metacycM:CPD-14633	2',3'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-13-hydroxy-2-{[(3R,4R,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}-14-methyl-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione
seed.compound:cpd34749 seedM:cpd34749	(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-13-hydroxy-2-{[(3R,4R,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}-14-methyl-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione 2',3'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
seedM:M_cpd34749	secondary/obsolete/fantasy identifier