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pentalenolactone E

Properties

Image

Occurences in reactions

MNX_ID

MNXM12599

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₅H₁₇O₄

charge

-1

mass

261.11323

reference

InChIKey

VDWJABPVVAYLBS-BPYAMOTFSA-M

InChI

InChI=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

SMILES

C=C1C(=O)OC[C@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@@]132

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:70788 chebi:70788	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	Pentalenolactone E
metacyc.compound:CPD-13632 metacycM:CPD-13632 seed.compound:cpd23972 seedM:cpd23972	pentalenolactone E
CHEBI:70807 chebi:70807	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