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5'-hydroxyasperentin

PropertiesImage
MNX_IDMNXM102010 Image of MNXM102010
referencechebi:68704
formulaC16H20O6
global charge0
mol weight308.33
InChIKeyIEOXNDOOKTVJRQ-DRBGTSAUSA-N
InChIInChI=1S/C16H20O6/c1-8-13(18)3-2-11(21-8)7-12-5-9-4-10(17)6-14(19)15(9)16(20)22-12/h4,6,8,11-13,17-19H,2-3,5,7H2,1H3/t8-,11+,12?,13?/m0/s1
SMILESC[C@@H]1O[C@@H](CC2CC3=CC(O)=CC(O)=C3C(=O)O2)CCC1O
MNX internals
InChI (mnx)InChI=1/C16H20O6/c1-8-13(18)3-2-11(21-8)7-12-5-9-4-10(17)6-14(19)15(9)16(20)22-12/h4,6,8,11-13,17-19H,2-3,5,7H2,1H3/t8-,11+,12?,13?/m0/s1 Image of MNXM102010
SMILES (mnx)[CH3:1][C@H:8]1[CH:13]([OH:18])[CH2:3][CH2:2][C@H:11]([CH2:7][CH:12]2[CH2:5][C:9]3=[CH:4][C:10]([OH:17])=[CH:6][C:14]([OH:19])=[C:15]3[C:16](=[O:20])[O:22]2)[O:21]1
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:68704
chebi:68704
IEOXNDOOKTVJRQ-DRBGTSAUSA-N
5'-hydroxyasperentin
6,8-dihydroxy-3-{[(2R,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]methyl}-3,4-dihydro-1H-isochromen-1-one