Structure database (LMSD)

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LM IDLMPR0102070025
Common Name8-Epiiridodial glucoside
Systematic Name-
Synonyms-
Exact Mass
330.1679 (neutral)    Calculate m/z:
FormulaC16H26O7
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207]
PubChem CID443337
KEGG IDC11656
InChIKeyUKWQRDBDDIGHEQ-XLOWEYQUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H26O7/c1-7-3-4-9-8(2)6-21-15(11(7)9)23-16-14(20)13(19)12(18)10(5-17)22-16/h6-7,9-20H,3-5H2,1-2H3/t7-,9-,10-,11-,12-,13+,14-,15+,16+/m1/s1
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SMILES
O([C@@H]1OC=C(C)[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 Atoms23Rings3Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
307.17Topological Polar
Surface Area
112.75Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
7
 logP1.73Molar
Refractivity
82.42