Castaneiolide (CHEBI:175360)

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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	Castaneiolide

ChEBI ID	CHEBI:175360

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H28O8

Net Charge

Average Mass

420.458

Monoisotopic Mass

420.17842

InChI

InChI=1S/C22H28O8/c1-3-5-7-8-12-10-13-16(21(27)29-18(13)24)17(23)22(28,9-6-4-2)11-14-15(12)20(26)30-19(14)25/h12,17,23,28H,3-11H2,1-2H3

InChIKey

RKHYCZRKSYBVGA-UHFFFAOYSA-N

SMILES

OC1(C(O)C2=C(CC(C3=C(C1)C(OC3=O)=O)CCCCC)C(OC2=O)=O)CCCC

ChEBI Ontology
Outgoing	Castaneiolide (CHEBI:175360) has functional parent tetracarboxylic acid (CHEBI:35742) Castaneiolide (CHEBI:175360) is a organooxygen compound (CHEBI:36963)

IUPAC Name

10-butyl-9,10-dihydroxy-2-pentyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone