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2'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone

Properties

Image

Occurences in reactions

MNX_ID

MNXM97380

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

formula

C₃₁H₄₆O₉

charge

mass

562.31418

reference

metacycM:CPD-14632

InChIKey

MZQOGEPCWATXRH-UOADEYMPSA-N

InChI

InChI=1S/C31H46O9/c1-5-18-7-6-8-25(32)15(2)27(34)24-13-22-20(23(24)14-26(33)39-18)10-9-17-11-19(12-21(17)22)40-31-30(37-4)29(36)28(35)16(3)38-31/h9-10,13,15-23,25,28-32,35-36H,5-8,11-12,14H2,1-4H3/t15-,16+,17-,18+,19-,20-,21-,22-,23+,25+,28+,29-,30-,31+/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](O)[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-14632 metacycM:CPD-14632	2'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-2- {[(3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-9-ethyl-13-hydroxy-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:cpd35438 seedM:cpd35438	(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-2- {[(3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-9-ethyl-13-hydroxy-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'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
seedM:M_cpd35438	secondary/obsolete/fantasy identifier