Structure database (LMSD)

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LM IDLMPR0103410003
Common NameMatricin
Systematic Name-
Synonyms-
Exact Mass
306.1467 (neutral)    Calculate m/z:
FormulaC17H22O5
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Guaiane sesquiterpenoids [PR010341]
PubChem CID92265
KEGG IDC09499
CHEBI ID6699
InChIKeySYTRJRUSWMMZLV-VQGWEXQJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3/t9-,12-,13+,14-,15-,17+/m0/s1
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SMILES
O([C@H]1CC(C)=C2C=C[C@](O)(C)[C@]2([H])[C@@]2([H])OC([C@@H](C)[C@@]21[H])=O)C(=O)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
298.97Topological Polar
Surface Area
74.90Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
5
 logP2.61Molar
Refractivity
80.19