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Adenolin E

PropertiesImage
MNX_IDMNXM102372 Image of MNXM102372
referencechebi:67686
formulaC23H34O8
global charge0
mol weight438.517
InChIKeyROMQEKCQDQVNAP-FMTDOCLHSA-N
InChIInChI=1S/C23H34O8/c1-11(24)31-15-5-6-20(2,3)17-19(27)23(28)22-8-12(13(9-29-4)18(22)26)7-14(25)16(22)21(15,17)10-30-23/h12-17,19,25,27-28H,5-10H2,1-4H3/t12-,13+,14-,15-,16-,17+,19-,21-,22-,23+/m0/s1
SMILESCOC[C@H]1C(=O)[C@]23C[C@@H]1C[C@H](O)[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O
MNX internals
InChI (mnx)InChI=1/C23H34O8/c1-11(24)31-15-5-6-20(2,3)17-19(27)23(28)22-8-12(13(9-29-4)18(22)26)7-14(25)16(22)21(15,17)10-30-23/h12-17,19,25,27-28H,5-10H2,1-4H3/t12-,13+,14-,15-,16-,17+,19-,21-,22-,23+/m0/s1 Image of MNXM102372
SMILES (mnx)[CH3:1][C:11](=[O:24])[O:31][C@H:15]1[CH2:5][CH2:6][C:20]([CH3:2])([CH3:3])[C@H:17]2[C@H:19]([OH:27])[C@:23]3([OH:28])[C@@:22]45[CH2:8][C@H:12]([CH2:7][C@H:14]([OH:25])[C@H:16]4[C@:21]12[CH2:10][O:30]3)[C@@H:13]([CH2:9][O:29][CH3:4])[C:18]5=[O:26]
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:67686
chebi:67686
ROMQEKCQDQVNAP-FMTDOCLHSA-N 		Adenolin E