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Isoswertiajaponin

Properties

Image

Occurences in reactions

MNX_ID

MNXM58342

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₂H₂₂O₁₁

charge

mass

462.11621

reference

lipidmapsM:LMPK12111031

InChIKey

BRYZTZMVXZZLPD-UHJXJGFFSA-N

InChI

InChI=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/t15?,18-,19-,20?,22-/m0/s1

SMILES

COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMPK12111031 lipidmapsM:LMPK12111031	Isoswertiajaponin
hmdb:HMDB0037449	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