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dihydromonacolin L carboxylate

Properties

Image

Occurences in reactions

MNX_ID

MNXM145633

	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	0

formula

C₁₉H₃₁O₄

charge

-1

mass

323.453

reference

chebi:79031

InChIKey

NYKUCCPVLWRDEZ-VCWNUMGPSA-M

InChI

InChI=1S/C19H32O4/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-15(20)10-16(21)11-19(22)23/h4-5,12-18,20-21H,3,6-11H2,1-2H3,(H,22,23)/p-1/t12-,13+,14+,15-,16-,17+,18+/m1/s1

SMILES

[CH3:1][C@@H:12]1[CH2:3][CH2:7][C@H:18]2[C@@H:14]([CH:5]=[CH:4][C@H:13]([CH3:2])[C@@H:17]2[CH2:8][CH2:6][C@H:15]([CH2:10][C@H:16]([CH2:11][C:19](=[O:22])[OH:23])[OH:21])[OH:20])[CH2:9]1

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:79031 chebi:79031	dihydromonacolin L carboxylate (3R,5R)-7-[(1S,2S,4aR,6R,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate dihydromonacolin L acid(1-)
kegg.compound:C20851 keggC:C20851	Dihydromonacolin L acid (3R,5R)-7-[(1S,2S,4aR,6R,8aS)-2,6-Dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen1yl]-3,5-dihydroxyheptanoate
metacyc.compound:CPD-16907 metacycM:CPD-16907 seed.compound:cpd32181 seedM:cpd32181	dihydromonacolin L acid
CHEBI:82970 chebi:82970	dihydromonacolin L acid (3R,5R)-7-[(1S,2S,4aR,6R,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
keggC:M_C20851 seedM:M_cpd32181	secondary/obsolete/fantasy identifier