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Cinncassiol D4 2-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM120558

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

formula

C₂₆H₄₂O₁₀

charge

mass

514.2778

reference

chebi:169333

InChIKey

ISSKLTGTEWBALZ-UHFFFAOYSA-N

InChI

InChI=1S/C26H42O10/c1-10(2)12-6-15-22(4)9-25(32)23(12,5)26(15,33)20(36-25)16-11(3)13(7-24(16,22)31)34-21-19(30)18(29)17(28)14(8-27)35-21/h10-21,27-33H,6-9H2,1-5H3

SMILES

CC(C)C1CC2C3(C)CC4(O)OC(C5C(C)C(OC6OC(CO)C(O)C(O)C6O)CC53O)C2(O)C14C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:169333 chebi:169333	Cinncassiol D4 2-glucoside 3,7,10-trimethyl-11-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-6,9,14-triol
hmdb:HMDB0035065	Cinncassiol D4 2-glucoside 11-isopropyl-3,7,10-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-oxapentacyclo[7.5.1.0²,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-6,9,14-triol 3,7,10-trimethyl-11-(propan-2-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-oxapentacyclo[7.5.1.0²,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-6,9,14-triol
hmdb:HMDB35065	secondary/obsolete/fantasy identifier