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Monocerin

PropertiesImage
MNX_IDMNXM106752 Image of MNXM106752
referencechebi:70148
formulaC16H20O6
global charge0
mol weight308.33
InChIKeyVAYQNUBOZLPGDH-OLXJLDBKSA-N
InChIInChI=1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3/t8-,11+,14+/m0/s1
SMILESCCC[C@H]1C[C@H]2OC(=O)C3=C(C=C(OC)C(OC)=C3O)[C@H]2O1
MNX internals
InChI (mnx)InChI=1/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3/t8-,11+,14+/m0/s1 Image of MNXM106752
SMILES (mnx)[CH3:1][CH2:4][CH2:5][C@H:8]1[CH2:6][C@@H:11]2[C@@H:14]([C:9]3=[CH:7][C:10]([O:19][CH3:2])=[C:15]([O:20][CH3:3])[C:13]([OH:17])=[C:12]3[C:16](=[O:18])[O:22]2)[O:21]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70148
chebi:70148
VAYQNUBOZLPGDH-OLXJLDBKSA-N 		Monocerin
(2S,3aR,9bR)-6-hydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one

seed.compound:cpd06843
seedM:cpd06843
kegg.compound:C09953
keggC:C09953
VAYQNUBOZLPGDH-OLXJLDBKSA-N 		Monocerin

chebi:6978
keggC:M_C09953
seedM:M_cpd06843 		secondary/obsolete/fantasy identifier