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(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-13-hydroxy-14-methyl-2-{[(3R,4R,5R,6S)-3,4,5-trihydroxy-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

Properties

Image

Occurences in reactions

MNX_ID

MNXM97605

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₃₀H₄₄O₉

charge

mass

548.673

reference

seedM:cpd33381

InChIKey

IDLAOOFFVYMLHU-NTRHVAJKSA-N

InChI

InChI=1S/C30H44O9/c1-4-17-6-5-7-24(31)14(2)26(33)23-12-21-19(22(23)13-25(32)38-17)9-8-16-10-18(11-20(16)21)39-30-29(36)28(35)27(34)15(3)37-30/h8-9,12,14-22,24,27-31,34-36H,4-7,10-11,13H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21-,22+,24+,27+,28-,29-,30+/m1/s1

SMILES

[CH3:1][CH2:4][C@H:17]1[CH2:6][CH2:5][CH2:7][C@H:24]([OH:31])[C@@H:14]([CH3:2])[C:26](=[O:33])[C:23]2=[CH:12][C@@H:21]3[C@@H:19]([CH:9]=[CH:8][C@@H:16]4[CH2:10][C@@H:18]([O:39][C@H:30]5[C@H:29]([OH:36])[C@H:28]([OH:35])[C@@H:27]([OH:34])[C@H:15]([CH3:3])[O:37]5)[CH2:11][C@H:20]43)[C@@H:22]2[CH2:13][C:25](=[O:32])[O:38]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd33381 seedM:cpd33381	(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-13-hydroxy-14-methyl-2-{[(3R,4R,5R,6S)-3,4,5-trihydroxy-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 rhamnosyl tetracyclic spinosyn pseudoaglycone
metacyc.compound:CPD-14631 metacycM:CPD-14631	rhamnosyl tetracyclic spinosyn pseudoaglycone (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-13-hydroxy-14-methyl-2-{[(3R,4R,5R,6S)-3,4,5-trihydroxy-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
seedM:M_cpd33381	secondary/obsolete/fantasy identifier