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pentalenolactone D

PropertiesImage
MNX_IDMNXM12598 Image of MNXM12598
referencechebi:70787
formulaC15H19O4
global charge-1
mol weight263.313
InChIKeyMRLXXQBBRNRWDA-LIEMUPCESA-M
InChIInChI=1S/C15H20O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,16,17)/p-1/t8-,9-,11+,15-/m1/s1
SMILESC[C@@H]1C(=O)OC[C@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@]312
MNX internals
InChI (mnx)InChI=1/C15H20O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,16,17)/t8-,9-,11+,15-/m1/s1 Image of MNXM12598
SMILES (mnx)[CH3:1][C@@H:8]1[C:13](=[O:18])[O:19][CH2:6][C@H:11]2[C:10]([C:12](=[O:16])[OH:17])=[CH:4][C@@H:9]3[CH2:5][C:14]([CH3:2])([CH3:3])[CH2:7][C@@:15]132
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70787
chebi:70787
MRLXXQBBRNRWDA-LIEMUPCESA-M 		pentalenolactone D
(4S,4aR,7aS,9aR)-4,6,6-trimethyl-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylate
pentalenolactone D anion
pentalenolactone D(1-)

seed.compound:cpd31082
seedM:cpd31082
kegg.compound:C20399
keggC:C20399
MRLXXQBBRNRWDA-LIEMUPCESA-M
MRLXXQBBRNRWDA-LIEMUPCESA-N 		Pentalenolactone D

metacyc.compound:CPD-13621
metacycM:CPD-13621
seed.compound:cpd23965
seedM:cpd23965
MRLXXQBBRNRWDA-LIEMUPCESA-M 		pentalenolactone D

CHEBI:70805
chebi:70805
MRLXXQBBRNRWDA-LIEMUPCESA-N 		pentalenolactone D
(4S,4aR,7aS,9aR)-4,6,6-trimethyl-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylic acid

keggC:M_C20399
seedM:M_cpd23965
seedM:M_cpd31082 		secondary/obsolete/fantasy identifier