3-epi-merulin A (CHEBI:217925)

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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	3-epi-merulin A

ChEBI ID	CHEBI:217925

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H22O4

Net Charge

Average Mass

254.326

Monoisotopic Mass

254.15181

InChI

InChI=1S/C14H22O4/c1-12(2)6-5-11(16)13(3)14(12)7-4-9(15)10(8-14)17-18-13/h9-10,15H,4-8H2,1-3H3/t9-,10-,13+,14-/m0/s1

InChIKey

QYJVCFQEMCWLHS-ZNIXKSQXSA-N

SMILES

O=C1[C@]2(OO[C@@H]3[C@@H](O)CC[C@@]2(C(C)(C)CC1)C3)C

Metabolite of Species	Details
Pseudolagarobasidium acaciicola (NCBI:txid386453)	See: PubMed

ChEBI Ontology
Outgoing	3-epi-merulin A (CHEBI:217925) is a dioxanes (CHEBI:46926)

IUPAC Name

(1S,6S,9S,10S)-10-hydroxy-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.01,6]tridecan-5-one