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rhamnosyl tricyclic spinosyn pseudoaglycone

Properties

Image

Occurences in reactions

MNX_ID

MNXM97606

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

formula

C₃₀H₄₄O₉

charge

mass

548.29853

reference

metacycM:CPD-14630

InChIKey

XLNHRKMLLJUXMU-RFCQDVLTSA-N

InChI

InChI=1S/C30H44O9/c1-4-20-6-5-7-24(31)16(2)25(32)12-11-22-18(10-13-26(33)38-20)8-9-19-14-21(15-23(19)22)39-30-29(36)28(35)27(34)17(3)37-30/h8-13,16-24,27-31,34-36H,4-7,14-15H2,1-3H3/b12-11+,13-10+/t16-,17+,18+,19-,20+,21-,22-,23-,24+,27+,28-,29-,30+/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@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)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-14630 metacycM:CPD-14630	rhamnosyl tricyclic spinosyn pseudoaglycone (2R,3aS,5aS,10S,14S,15R,18aS,18bR)-10-ethyl-14-hydroxy-15-methyl-2-{[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-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:cpd35786 seedM:cpd35786	(2R,3aS,5aS,10S,14S,15R,18aS,18bR)-10-ethyl-14-hydroxy-15-methyl-2-{[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,8H,10H,11H,12H,13H,14H,15H,16H,18aH,18bH-indeno[5,4-e]oxacyclopentadecane-8,16-dione rhamnosyl tricyclic spinosyn pseudoaglycone
seedM:M_cpd35786	secondary/obsolete/fantasy identifier