Libertalide E (CHEBI:208598)

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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	Libertalide E

ChEBI ID	CHEBI:208598

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H24O4

Net Charge

Average Mass

280.364

Monoisotopic Mass

280.16746

InChI

InChI=1S/C16H24O4/c1-14(19)6-5-11-10(9-14)4-7-15(2)16(11,3)12(17)8-13(18)20-15/h4,7,10-12,17,19H,5-6,8-9H2,1-3H3/t10-,11-,12-,14+,15+,16-/m0/s1

InChIKey

ULPLFCQFWQHTEY-PFAZVANRSA-N

SMILES

O=C1O[C@@]2(C=C[C@H]3C[C@@](O)(C)CC[C@@H]3[C@@]2(C)[C@H](C1)O)C

ChEBI Ontology
Outgoing	Libertalide E (CHEBI:208598) is a organic heterotricyclic compound (CHEBI:26979) Libertalide E (CHEBI:208598) is a organooxygen compound (CHEBI:36963)

IUPAC Name

(1S,4aR,6aR,8R,10aS,10bS)-1,8-dihydroxy-4a,8,10b-trimethyl-2,6a,7,9,10,10a-hexahydro-1H-benzo[]chromen-3-one