Structure database (LMSD)

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LM IDLMPR0102070020
Common Name8-Epideoxyloganin
Systematic Name-
Synonyms-
Exact Mass
374.1577 (neutral)    Calculate m/z:
FormulaC17H26O9
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207]
PubChem CID443331
KEGG IDC11648
InChIKeyKMHXLGLJTQHEIM-OBFZKGLGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H26O9/c1-7-3-4-8-9(15(22)23-2)6-24-16(11(7)8)26-17-14(21)13(20)12(19)10(5-18)25-17/h6-8,10-14,16-21H,3-5H2,1-2H3/t7-,8-,10-,11-,12-,13+,14-,16+,17+/m1/s1
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SMILES
O([C@@H]1OC=C(C(=O)OC)[C@@]2([H])CC[C@@H](C)[C@]21[H])[C@H]1[C@H](O)[C@H]([C@H](O)[C@H](O1)CO)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings3Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
339.41Topological Polar
Surface Area
139.05Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
9
 logP0.88Molar
Refractivity
88.76