Exserolide C (CHEBI:216109)

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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	Exserolide C

ChEBI ID	CHEBI:216109

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

Submitter	MetaboLights

Supplier Information

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Formula

C16H20O6

Net Charge

Average Mass

308.330

Monoisotopic Mass

308.12599

InChI

InChI=1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3/t8-,11-,14+/m1/s1

InChIKey

VAYQNUBOZLPGDH-UGQGEIBHSA-N

SMILES

O=C1O[C@H]2[C@@H](O[C@@H](C2)CCC)C=3C1=C(O)C(OC)=C(OC)C3

Metabolite of Species	Details
Exserohilumspecies (NCBI:txid1868163)	See: PubMed

ChEBI Ontology
Outgoing	Exserolide C (CHEBI:216109) is a 2-benzopyran (CHEBI:38444)

IUPAC Name

(2R,3aR,9bS)-6-hydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydrouro[3,2-c]isochromen-5-one