F12509A (CHEBI:209983)

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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	F12509A

ChEBI ID	CHEBI:209983

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H28O4

Net Charge

Average Mass

344.451

Monoisotopic Mass

344.19876

InChI

InChI=1S/C21H28O4/c1-12-6-7-17-20(2,3)8-5-9-21(17,4)14(12)10-13-18(24)15(22)11-16(23)19(13)25/h11,14,17,22,25H,1,5-10H2,2-4H3/t14-,17-,21+/m0/s1

InChIKey

KFAYECQGXSDHKU-XXHMAFKTSA-N

SMILES

O=C1C(O)=CC(=O)C(=C1C[C@H]2C(=C)CC[C@@H]3[C@@]2(CCCC3(C)C)C)O

Metabolite of Species	Details
Trichopezizella (NCBI:txid602066)	See: PubMed

ChEBI Ontology
Outgoing	F12509A (CHEBI:209983) is a prenylquinone (CHEBI:26255)

IUPAC Name

3-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione