7alpha-Acetoxydeacetylbotryenedial (CHEBI:202792)

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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	7alpha-Acetoxydeacetylbotryenedial

ChEBI ID	CHEBI:202792

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H24O5

Net Charge

Average Mass

308.374

Monoisotopic Mass

308.16237

InChI

InChI=1S/C17H24O5/c1-9-6-12(21)14-13(11(9)7-18)17(5,8-19)15(16(14,3)4)22-10(2)20/h7-9,12,14-15,21H,6H2,1-5H3/t9-,12+,14-,15-,17-/m1/s1

InChIKey

LOZDGOGEQSPGNS-RTNSRKOKSA-N

SMILES

O=C(O[C@H]1[C@@](C2=C(C=O)[C@H](C)C[C@@H]([C@H]2C1(C)C)O)(C=O)C)C

Metabolite of Species	Details
Daldinia concentrica (NCBI:txid42361)	See: PubMed

ChEBI Ontology
Outgoing	7alpha-Acetoxydeacetylbotryenedial (CHEBI:202792) is a carboxylic ester (CHEBI:33308)

IUPAC Name

[(1R,2R,3aR,4S,6R)-1,7-diormyl-4-hydroxy-1,3,3,6-tetramethyl-3a,4,5,6-tetrahydro-2H-inden-2-yl] acetate