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Cyclocalopin E

Properties

Image

Occurences in reactions

MNX_ID

MNXM124074

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

formula

C₁₅H₂₀O₆

charge

mass

296.12599

reference

InChIKey

HQXFOQULVCDQQO-LXVFBTDTSA-N

InChI

InChI=1S/C15H20O6/c1-6-5-19-13(18)11-9(6)15-4-8(20-14(15,3)21-11)7(2)10(16)12(15)17/h6-9,11-12,17H,4-5H2,1-3H3/t6-,7+,8+,9+,11+,12+,14-,15+/m1/s1

SMILES

C[C@@H]1C(=O)[C@H](O)[C@@]23C[C@@H]1O[C@]2(C)O[C@@H]1C(=O)OC[C@@H](C)[C@@H]13

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174821 chebi:174821	Cyclocalopin E (1S,2R,3S,7S,9R,11S,12S,14R)-14-hydroxy-3,9,12-trimethyl-5,8,10-trioxatetracyclo[9.3.1.01,9.02,7]pentadecane-6,13-dione
hmdb:HMDB0039814	Cyclocalopin E 14-hydroxy-3,9,12-trimethyl-5,8,10-trioxatetracyclo[9.3.1.0¹,⁹.0²,⁷]pentadecane-6,13-dione
hmdb:HMDB39814	secondary/obsolete/fantasy identifier