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2',3',4'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone

Properties

Image

Occurences in reactions

MNX_ID

MNXM97377

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

formula

C₃₃H₅₀O₉

charge

mass

590.34548

reference

metacycM:CPD-14634

InChIKey

KSCLXDPNSMLYPU-YDZPRSSASA-N

InChI

InChI=1S/C33H50O9/c1-7-20-9-8-10-27(34)17(2)29(36)26-15-24-22(25(26)16-28(35)41-20)12-11-19-13-21(14-23(19)24)42-33-32(39-6)31(38-5)30(37-4)18(3)40-33/h11-12,15,17-25,27,30-34H,7-10,13-14,16H2,1-6H3/t17-,18+,19-,20+,21-,22-,23-,24-,25+,27+,30+,31-,32-,33+/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](OC)[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-14634 metacycM:CPD-14634	2',3',4'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-13-hydroxy-14-methyl-2-{[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-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:cpd32035 seedM:cpd32035	(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-13-hydroxy-14-methyl-2-{[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-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',4'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
seedM:M_cpd32035	secondary/obsolete/fantasy identifier