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Adenolin D

PropertiesImage
MNX_IDMNXM102371 Image of MNXM102371
referencechebi:67674
formulaC23H34O7
global charge0
mol weight422.518
InChIKeyVVSBOWDVUWUVCK-ZTDGPNIRSA-N
InChIInChI=1S/C23H34O7/c1-12(24)30-15-8-13-9-22(18(25)14(13)10-28-4)16(15)21-7-5-6-20(2,3)17(21)19(26)23(22,27)29-11-21/h13-17,19,26-27H,5-11H2,1-4H3/t13-,14+,15+,16-,17+,19-,21+,22-,23+/m0/s1
SMILESCOC[C@H]1C(=O)[C@]23C[C@@H]1C[C@@H](OC(C)=O)[C@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2
MNX internals
InChI (mnx)InChI=1/C23H34O7/c1-12(24)30-15-8-13-9-22(18(25)14(13)10-28-4)16(15)21-7-5-6-20(2,3)17(21)19(26)23(22,27)29-11-21/h13-17,19,26-27H,5-11H2,1-4H3/t13-,14+,15+,16-,17+,19-,21+,22-,23+/m0/s1 Image of MNXM102371
SMILES (mnx)[CH3:1][C:12](=[O:24])[O:30][C@@H:15]1[CH2:8][C@H:13]2[CH2:9][C@:22]3([C@@H:16]1[C@:21]14[CH2:7][CH2:5][CH2:6][C:20]([CH3:2])([CH3:3])[C@H:17]1[C@H:19]([OH:26])[C@@:23]3([OH:27])[O:29][CH2:11]4)[C:18](=[O:25])[C@@H:14]2[CH2:10][O:28][CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67674
chebi:67674
VVSBOWDVUWUVCK-ZTDGPNIRSA-N 		Adenolin D