F-36316 C (CHEBI:226364)

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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	F-36316 C

ChEBI ID	CHEBI:226364

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H32O9

Net Charge

Average Mass

416.467

Monoisotopic Mass

416.20463

InChI

InChI=1S/C20H32O9/c1-2-3-4-5-6-7-8-9-10-11-12(21)14(22)15(23)13-16(24)18(29-20(13)28)17(25)19(26)27/h12,14,17-18,21-23,25H,2-11H2,1H3,(H,26,27)

InChIKey

CEQWXQJYDPPTEF-UHFFFAOYSA-N

SMILES

O=C1OC(C(O)C(=O)O)C(C1=C(O)C(O)C(O)CCCCCCCCCCC)=O

Metabolite of Species	Details
Incrucipulumspecies SANK_10414 (NCBI:txid1894973)	See: PubMed

ChEBI Ontology
Outgoing	F-36316 C (CHEBI:226364) is a long-chain fatty alcohol (CHEBI:17135)

IUPAC Name

2-[3,5-dioxo-4-(1,2,3-trihydroxytetradecylidene)oxolan-2-yl]-2-hydroxyacetic acid