Aspergone P (CHEBI:227624)

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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	Aspergone P

ChEBI ID	CHEBI:227624

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H14O4

Net Charge

Average Mass

198.218

Monoisotopic Mass

198.08921

InChI

InChI=1S/C10H14O4/c1-2-3-5-6(4-11)8(13)10-9(14-10)7(5)12/h2-3,7-13H,4H2,1H3/b3-2+/t7-,8-,9+,10-/m1/s1

InChIKey

QVUUTMGAHHMHQA-REUVDKBISA-N

SMILES

O1[C@H]2[C@H](O)C(/C=C/C)=C([C@H]([C@@H]12)O)CO

Metabolite of Species	Details
Aspergillusspecies OUCMDZ-1583 (NCBI:txid1548012)	See: DOI

ChEBI Ontology
Outgoing	Aspergone P (CHEBI:227624) is a secondary alcohol (CHEBI:35681)

IUPAC Name

(1R,2R,5R,6S)-3-(hydroxymethyl)-4-[(E)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol