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6-(9'-Purine-6',8'-diolyl)-2beta-suberosanone

Properties

Image

Occurences in reactions

MNX_ID

MNXM102086

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

formula

C₂₀H₂₆N₄O₃

charge

mass

370.20049

reference

chebi:66791

InChIKey

BHCRQXWMNOFEEK-OWPPUKJFSA-N

InChI

InChI=1S/C20H26N4O3/c1-10-4-5-11-12-6-14(25)13(20(10,12)8-19(11,2)3)7-24-16-15(23-18(24)27)17(26)22-9-21-16/h9-13H,4-8H2,1-3H3,(H,23,27)(H,21,22,26)/t10-,11-,12+,13-,20-/m0/s1

SMILES

C[C@H]1CC[C@H]2[C@H]3CC(=O)[C@H](Cn4c(O)nc5c(O)ncnc54)[C@@]13CC2(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:66791 chebi:66791	6-(9'-Purine-6',8'-diolyl)-2beta-suberosanone (3S,3aS,4S,7S,7aR)-3-[(6,8-dihydroxy-9H-purin-9-yl)methyl]-4,8,8-trimethylhexahydro-3a,7-ethanoinden-2(3H)-one 9-{[(1S,2S,5R,6S,9S)-9,11,11-Trimethyl-3-oxotricyclo[4.3.2.01,5]undec-2-yl]methyl}-7,9-dihydro-3H-purine-6,8-dione