Acrostalidic acid (CHEBI:199636)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Acrostalidic acid

ChEBI ID	CHEBI:199636

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

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Formula

C16H22O4

Net Charge

Average Mass

278.348

Monoisotopic Mass

278.15181

InChI

InChI=1S/C16H22O4/c1-15-6-3-7-16(2,14(18)19)12(15)5-4-10-9-20-13(17)8-11(10)15/h4-5,10-12H,3,6-9H2,1-2H3,(H,18,19)/t10-,11-,12+,15+,16-/m0/s1

InChIKey

QZDLOWBWMWAWPV-KSMPYDNASA-N

SMILES

O=C1OC[C@@H]2C=C[C@@H]3[C@@]([C@H]2C1)(CCC[C@@]3(C(=O)O)C)C

Metabolite of Species	Details
Acrostalagmus (NCBI:txid461148)	See: DOI

ChEBI Ontology
Outgoing	Acrostalidic acid (CHEBI:199636) is a organic heterotricyclic compound (CHEBI:26979) Acrostalidic acid (CHEBI:199636) is a organooxygen compound (CHEBI:36963)

IUPAC Name

(4aR,6aR,7S,10aR,10bS)-7,10a-dimethyl-2-oxo-1,4,4a,6a,8,9,10,10b-octahydrobenzo[]isochromene-7-carboxylic acid