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neopentalenolactone D

PropertiesImage
MNX_IDMNXM12449 Image of MNXM12449
referencechebi:70859
formulaC15H19O4
global charge-1
mol weight263.313
InChIKeyZMLAXRVFMBEJIF-GCTGHDABSA-M
InChIInChI=1S/C15H20O4/c1-8-15-7-14(2,3)6-9(15)4-10(13(17)18)11(15)5-12(16)19-8/h4,8-9,11H,5-7H2,1-3H3,(H,17,18)/p-1/t8-,9+,11-,15+/m0/s1
SMILESC[C@@H]1OC(=O)C[C@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@]312
MNX internals
InChI (mnx)InChI=1/C15H20O4/c1-8-15-7-14(2,3)6-9(15)4-10(13(17)18)11(15)5-12(16)19-8/h4,8-9,11H,5-7H2,1-3H3,(H,17,18)/t8-,9+,11-,15+/m0/s1 Image of MNXM12449
SMILES (mnx)[CH3:1][C@H:8]1[C@:15]23[CH2:7][C:14]([CH3:2])([CH3:3])[CH2:6][C@H:9]2[CH:4]=[C:10]([C:13](=[O:17])[OH:18])[C@@H:11]3[CH2:5][C:12](=[O:16])[O:19]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70859
chebi:70859
ZMLAXRVFMBEJIF-GCTGHDABSA-M 		neopentalenolactone D
(1S,4aR,6aS,9aR)-1,8,8-trimethyl-3-oxo-4,4a,6a,7,8,9-hexahydro-3H-pentaleno[6a,1-c]pyran-5-carboxylate
neopentalenolactone D(1-)

seed.compound:cpd31084
seedM:cpd31084
kegg.compound:C20402
keggC:C20402
ZMLAXRVFMBEJIF-GCTGHDABSA-M
ZMLAXRVFMBEJIF-GCTGHDABSA-N 		Neopentalenolactone D

metacyc.compound:CPD-13623
metacycM:CPD-13623
seed.compound:cpd23967
seedM:cpd23967
ZMLAXRVFMBEJIF-XNJYERNQSA-M 		neopentalenolactone D

CHEBI:70866
chebi:70866
ZMLAXRVFMBEJIF-GCTGHDABSA-N 		neopentalenolactone D
(1S,4aR,6aS,9aR)-1,8,8-trimethyl-3-oxo-4,4a,6a,7,8,9-hexahydro-3H-pentaleno[6a,1-c]pyran-5-carboxylic acid

keggC:M_C20402
seedM:M_cpd23967
seedM:M_cpd31084 		secondary/obsolete/fantasy identifier