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myrciacitrin I

PropertiesImage
MNX_IDMNXM106805 Image of MNXM106805
referencechebi:66417
formulaC23H26O11
global charge0
mol weight478.45
InChIKeyXIMHLIFRXMEWEW-HMFSKKNISA-N
InChIInChI=1S/C23H26O11/c1-8-17(28)16-13(27)6-14(11-5-10(25)3-4-12(11)26)32-22(16)9(2)21(8)34-23-20(31)19(30)18(29)15(7-24)33-23/h3-5,14-15,18-20,23-26,28-31H,6-7H2,1-2H3/t14-,15+,18+,19-,20+,23-/m0/s1
SMILESCC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)=C2O[C@H](C3=C(O)C=CC(O)=C3)CC(=O)C2=C1O
MNX internals
InChI (mnx)InChI=1/C23H26O11/c1-8-17(28)16-13(27)6-14(11-5-10(25)3-4-12(11)26)32-22(16)9(2)21(8)34-23-20(31)19(30)18(29)15(7-24)33-23/h3-5,14-15,18-20,23-26,28-31H,6-7H2,1-2H3/t14-,15+,18+,19-,20+,23-/m0/s1 Image of MNXM106805
SMILES (mnx)[CH3:1][C:8]1=[C:21]([O:34][C@H:23]2[C@H:20]([OH:31])[C@@H:19]([OH:30])[C@H:18]([OH:29])[C@@H:15]([CH2:7][OH:24])[O:33]2)[C:9]([CH3:2])=[C:22]2[C:16](=[C:17]1[OH:28])[C:13](=[O:27])[CH2:6][C@@H:14]([C:11]1=[C:12]([OH:26])[CH:4]=[CH:3][C:10]([OH:25])=[CH:5]1)[O:32]2
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:66417
chebi:66417
XIMHLIFRXMEWEW-HMFSKKNISA-N
myrciacitrin I
(2S)-2-(2,5-dihydroxyphenyl)-5-hydroxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside
(2S)-6,8-dimethyl-5,7,2',5'-tetrahydroxyflavanone-7-O-beta-D-glucopyranoside