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(3b,9R)-5-Megastigmene-3,9-diol 9-[apiosyl-(1->6)-glucoside]

Properties

Image

Occurences in reactions

MNX_ID

MNXM115063

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

formula

C₂₄H₄₂O₁₁

charge

mass

506.27271

reference

chebi:168199

InChIKey

KXAHRTBPIZOXEC-UHFFFAOYSA-N

InChI

InChI=1S/C24H42O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h13-14,16-22,25-31H,5-11H2,1-4H3

SMILES

CC1=C(CCC(C)OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C(C)(C)CC(O)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168199 chebi:168199	(3b,9R)-5-Megastigmene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-2-yloxy]oxane-3,4,5-triol
hmdb:HMDB0038327 lipidmaps:LMFA13010056 lipidmapsM:LMFA13010056	(3b,9R)-5-Megastigmene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-yl]oxy}oxane-3,4,5-triol
hmdb:HMDB38327	secondary/obsolete/fantasy identifier