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Dioflorin

PropertiesImage
MNX_IDMNXM51069 Image of MNXM51069
referencelipidmapsM:LMPK12140642
formulaC21H22O6
global charge0
mol weight370.401
InChIKeyDWICVFARTYFNMY-MRXNPFEDSA-N
InChIInChI=1S/C21H22O6/c1-11(2)8-9-13-18(24)17-15(23)10-16(12-6-4-5-7-14(12)22)27-20(17)21(26-3)19(13)25/h4-8,16,22,24-25H,9-10H2,1-3H3/t16-/m1/s1
SMILESCOC1=C(O)C(CC=C(C)C)=C(O)C2=C1O[C@@H](C1=CC=CC=C1O)CC2=O
MNX internals
InChI (mnx)InChI=1/C21H22O6/c1-11(2)8-9-13-18(24)17-15(23)10-16(12-6-4-5-7-14(12)22)27-20(17)21(26-3)19(13)25/h4-8,16,22,24-25H,9-10H2,1-3H3/t16-/m1/s1 Image of MNXM51069
SMILES (mnx)[CH3:1][C:11]([CH3:2])=[CH:8][CH2:9][C:13]1=[C:18]([OH:24])[C:17]2=[C:20]([C:21]([O:26][CH3:3])=[C:19]1[OH:25])[O:27][C@@H:16]([C:12]1=[CH:6][CH:4]=[CH:5][CH:7]=[C:14]1[OH:22])[CH2:10][C:15]2=[O:23]
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

lipidmaps:LMPK12140642
lipidmapsM:LMPK12140642
DWICVFARTYFNMY-MRXNPFEDSA-N 		Dioflorin
(2R)-5,7,2'-Trihydroxy-8-methoxy-6-prenylflavanone