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pentalenolactone F

PropertiesImage
MNX_IDMNXM12600 Image of MNXM12600
referencechebi:70789
formulaC15H17O5
global charge-1
mol weight277.296
InChIKeyUUDKOVSZNMZKND-BDAURDKOSA-M
InChIInChI=1S/C15H18O5/c1-13(2)4-8-3-9(11(16)17)10-5-19-12(18)15(7-20-15)14(8,10)6-13/h3,8,10H,4-7H2,1-2H3,(H,16,17)/p-1/t8-,10+,14-,15-/m1/s1
SMILESCC1(C)C[C@H]2C=C(C(=O)[O-])[C@@H]3COC(=O)[C@]4(CO4)[C@]23C1
MNX internals
InChI (mnx)InChI=1/C15H18O5/c1-13(2)4-8-3-9(11(16)17)10-5-19-12(18)15(7-20-15)14(8,10)6-13/h3,8,10H,4-7H2,1-2H3,(H,16,17)/t8-,10+,14-,15-/m1/s1 Image of MNXM12600
SMILES (mnx)[CH3:1][C:13]1([CH3:2])[CH2:4][C@H:8]2[CH:3]=[C:9]([C:11](=[O:16])[OH:17])[C@@H:10]3[CH2:5][O:19][C:12](=[O:18])[C@:15]4([CH2:7][O:20]4)[C@:14]23[CH2:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70789
chebi:70789
UUDKOVSZNMZKND-BDAURDKOSA-M 		pentalenolactone F
(2R,4a'R,7a'S,9a'R)-6',6'-dimethyl-3'-oxo-1',5',6',7',7a',9a'-hexahydrospiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylate
pentalenolactone F anion
pentalenolactone F(1-)

seed.compound:cpd31080
seedM:cpd31080
kegg.compound:C20397
keggC:C20397
UUDKOVSZNMZKND-BDAURDKOSA-M
UUDKOVSZNMZKND-BDAURDKOSA-N 		Pentalenolactone F

metacyc.compound:CPD-13622
metacycM:CPD-13622
seed.compound:cpd23966
seedM:cpd23966
UUDKOVSZNMZKND-BDAURDKOSA-M 		pentalenolactone F

CHEBI:70809
chebi:70809
UUDKOVSZNMZKND-BDAURDKOSA-N 		pentalenolactone F
(2R,4a'R,7a'S,9a'R)-6',6'-dimethyl-3'-oxo-1',5',6',7',7a',9a'-hexahydrospiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid

keggC:M_C20397
seedM:M_cpd23966
seedM:M_cpd31080 		secondary/obsolete/fantasy identifier