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maysin

MNXM106488 is deprecated and here replaced by MNXM1364384
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364384 Image of MNXM1364384
referencechebi:70206
formulaC27H28O14
global charge0
mol weight576.507
InChIKeyGKLSYIMLZDYQBJ-CGOKOBCESA-N
InChIInChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19,22-29,31-32,34-37H,1-2H3/t8-,9+,19+,22-,23+,24-,25+,26-,27+/m0/s1
SMILESC[C@@H]1O[C@H](C2=C(O)C=C3OC(C4=CC(O)=C(O)C=C4)=CC(=O)C3=C2O)[C@@H](O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)C1=O
MNX internals
InChI (mnx)InChI=1/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19,22-29,31-32,34-37H,1-2H3/t8-,9+,19+,22-,23+,24-,25+,26-,27+/m0/s1 Image of MNXM1364384
SMILES (mnx)[CH3:1][C@H:8]1[C:20](=[O:33])[C@@H:23]([OH:36])[C@H:26]([O:41][C@@H:27]2[C@@H:24]([OH:37])[C@@H:22]([OH:35])[C@H:19]([OH:32])[C@@H:9]([CH3:2])[O:39]2)[C@@H:25]([C:18]2=[C:21]([OH:34])[C:17]3=[C:16]([CH:7]=[C:14]2[OH:31])[O:40][C:15]([C:10]2=[CH:5][C:12]([OH:29])=[C:11]([OH:28])[CH:4]=[CH:3]2)=[CH:6][C:13]3=[O:30])[O:38]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:70206
chebi:70206
GKLSYIMLZDYQBJ-CGOKOBCESA-N 		maysin
(6R)-2,6-anhydro-1-deoxy-5-O-(6-deoxy-alpha-D-mannopyranosyl)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-xylo-hex-3-ulose