Pseudoanguillosporin C (CHEBI:218364)

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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	Pseudoanguillosporin C

ChEBI ID	CHEBI:218364

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H26O5

Net Charge

Average Mass

322.401

Monoisotopic Mass

322.17802

InChI

InChI=1S/C18H26O5/c1-3-4-5-6-7-8-12-9-13-11(2)16(19)15(18(21)22)17(20)14(13)10-23-12/h12,19-20H,3-10H2,1-2H3,(H,21,22)/t12-/m1/s1

InChIKey

SNWYHMYDWIFBON-GFCCVEGCSA-N

SMILES

O=C(O)C1=C(O)C2=C(C[C@@H](CCCCCCC)OC2)C(=C1O)C

Metabolite of Species	Details
Cadophora (NCBI:txid210567)	See: PubMed

ChEBI Ontology
Outgoing	Pseudoanguillosporin C (CHEBI:218364) is a benzenes (CHEBI:22712) Pseudoanguillosporin C (CHEBI:218364) is a carbonyl compound (CHEBI:36586)

IUPAC Name

(3R)-3-heptyl-6,8-dihydroxy-5-methyl-3,4-dihydro-1H-isochromene-7-carboxylic acid