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pentalenolactone E

PropertiesImage
MNX_IDMNXM12599 Image of MNXM12599
referencechebi:70788
formulaC15H17O4
global charge-1
mol weight261.297
InChIKeyVDWJABPVVAYLBS-BPYAMOTFSA-M
InChIInChI=1S/C15H18O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,9,11H,1,5-7H2,2-3H3,(H,16,17)/p-1/t9-,11+,15-/m1/s1
SMILESC=C1C(=O)OC[C@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@@]132
MNX internals
InChI (mnx)InChI=1/C15H18O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,9,11H,1,5-7H2,2-3H3,(H,16,17)/t9-,11+,15-/m1/s1 Image of MNXM12599
SMILES (mnx)[CH2:1]=[C: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)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70788
chebi:70788
VDWJABPVVAYLBS-BPYAMOTFSA-M 		pentalenolactone E
(4aR,7aS,9aR)-6,6-dimethyl-4-methylene-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylate
pentalenolactone E anion
pentalenolactone E(1-)

seed.compound:cpd31081
seedM:cpd31081
kegg.compound:C20398
keggC:C20398
VDWJABPVVAYLBS-BPYAMOTFSA-M
VDWJABPVVAYLBS-BPYAMOTFSA-N 		Pentalenolactone E

metacyc.compound:CPD-13632
metacycM:CPD-13632
seed.compound:cpd23972
seedM:cpd23972
VDWJABPVVAYLBS-BPYAMOTFSA-M 		pentalenolactone E

CHEBI:70807
chebi:70807
VDWJABPVVAYLBS-BPYAMOTFSA-N 		pentalenolactone E
(4aR,7aS,9aR)-6,6-dimethyl-4-methylene-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylic acid

keggC:M_C20398
seedM:M_cpd23972
seedM:M_cpd31081 		secondary/obsolete/fantasy identifier