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monacolin J carboxylate

Properties

Image

Occurences in reactions

MNX_ID

MNXM145769

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

formula

C₁₉H₂₉O₅

charge

-1

mass

337.20205

reference

chebi:79035

InChIKey

FJQFRDAWQRBFCG-IRUSZSJRSA-M

InChI

InChI=1S/C19H30O5/c1-11-7-13-4-3-12(2)16(19(13)17(22)8-11)6-5-14(20)9-15(21)10-18(23)24/h3-4,7,11-12,14-17,19-22H,5-6,8-10H2,1-2H3,(H,23,24)/p-1/t11-,12-,14+,15+,16-,17-,19-/m0/s1

SMILES

C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]2[C@@H](O)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:79035 chebi:79035	monacolin J carboxylate (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate monacolin J acid(1-)
kegg.compound:C20854 keggC:C20854	Monacolin J acid (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-Hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
metacyc.compound:CPD-16908 metacycM:CPD-16908 seed.compound:cpd32953 seedM:cpd32953	monacolin J acid
CHEBI:82971 chebi:82971	monacolin J acid (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
keggC:M_C20854 seedM:M_cpd32953	secondary/obsolete/fantasy identifier