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Citreoviridinol A1

Properties

Image

Occurences in reactions

MNX_ID

MNXM120640

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

formula

C₂₂H₂₈O₈

charge

mass

420.17842

reference

chebi:175361

InChIKey

IQOXOOYMXWDCEG-LXKJUNEMSA-N

InChI

InChI=1S/C22H28O8/c1-13-14(28-16(23)12-15(13)27-5)10-8-6-7-9-11-20(2)17(24)21(3)18(25)22(4,30-20)19(26)29-21/h6-12,17-19,24-26H,1-5H3/b7-6+,10-8-,11-9-

SMILES

COc1cc(=O)oc(/C=C\C=C\C=C/C2(C)OC3(C)C(O)OC(C)(C2O)C3O)c1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175361 chebi:175361	Citreoviridinol A1 4-methoxy-5-methyl-6-[(1Z,3E,5Z)-6-(4,7,8-trihydroxy-1,3,5-trimethyl-2,6-dioxabicyclo[3.2.1]octan-3-yl)hexa-1,3,5-trienyl]pyran-2-one
hmdb:HMDB0035369	Citreoviridinol A1 4-methoxy-5-methyl-6-[(1Z,3E,5Z)-6-{4,7,8-trihydroxy-1,3,5-trimethyl-2,6-dioxabicyclo[3.2.1]octan-3-yl}hexa-1,3,5-trien-1-yl]-2H-pyran-2-one 4-methoxy-5-methyl-6-[(1Z,3E,5Z)-6-{4,7,8-trihydroxy-1,3,5-trimethyl-2,6-dioxabicyclo[3.2.1]octan-3-yl}hexa-1,3,5-trien-1-yl]pyran-2-one
hmdb:HMDB35369	secondary/obsolete/fantasy identifier