Merulin C (CHEBI:204101)

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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	Merulin C

ChEBI ID	CHEBI:204101

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O5

Net Charge

Average Mass

284.352

Monoisotopic Mass

284.16237

InChI

InChI=1S/C15H24O5/c1-12(2)5-4-10(17)13(3)15(12)7-6-14(18,9-16)11(8-15)19-20-13/h11,16,18H,4-9H2,1-3H3/t11?,13-,14?,15-/m1/s1

InChIKey

HYSZRAXVRXDIDT-JWZSIGGCSA-N

SMILES

O=C1[C@]2(OOC3C(O)(CO)CC[C@]2(C(C)(C)CC1)C3)C

ChEBI Ontology
Outgoing	Merulin C (CHEBI:204101) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

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