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Isoswertiajaponin

MNXM58342 is deprecated and here replaced by MNXM1370366
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370366 Image of MNXM1370366
referencehmdb:HMDB0037449
formulaC22H22O11
global charge0
mol weight462.407
InChIKeyBRYZTZMVXZZLPD-UHFFFAOYSA-N
InChIInChI=1S/C22H22O11/c1-31-14-6-12(27)16-11(26)5-13(8-2-3-9(24)10(25)4-8)32-21(16)17(14)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-25,27-30H,7H2,1H3
SMILESCOC1=C(C2OC(CO)C(O)C(O)C2O)C2=C(C(=O)C=C(C3=CC(O)=C(O)C=C3)O2)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C22H22O11/c1-31-14-6-12(27)16-11(26)5-13(8-2-3-9(24)10(25)4-8)32-21(16)17(14)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-25,27-30H,7H2,1H3/t15?,18?,19?,20?,22? Image of MNXM1370366
SMILES (mnx)[CH3:1][O:31][C:14]1=[CH:6][C:12]([OH:27])=[C:16]2[C:11](=[O:26])[CH:5]=[C:13]([C:8]3=[CH:4][C:10]([OH:25])=[C:9]([OH:24])[CH:3]=[CH:2]3)[O:32][C:21]2=[C:17]1[CH:22]1[CH:20]([OH:30])[CH:19]([OH:29])[CH:18]([OH:28])[CH:15]([CH2:7][OH:23])[O:33]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
hmdb:HMDB0037449
BRYZTZMVXZZLPD-UHFFFAOYSA-N 		Isoswertiajaponin
1,3-dihydro-1-Hydroxy-2,1-benzoxaborole
1-Hydroxy-3(1H)-1,2-benzoboroxole
1-Hydroxy-3H-2,1-benzoxaborole
2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
2-(Hydroxymethyl)phenylboronic acid dihydrate

hmdb:HMDB37449 		secondary/obsolete/fantasy identifier