(1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide (CHEBI:175829)

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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	(1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide

ChEBI ID	CHEBI:175829

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H24O7

Net Charge

Average Mass

376.405

Monoisotopic Mass

376.15220

InChI

InChI=1S/C20H24O7/c1-5-11(2)18(23)27-16-9-20(4,25)7-6-14(22)13(10-21)8-15-17(16)12(3)19(24)26-15/h5-8,15-17,21,25H,3,9-10H2,1-2,4H3/b7-6-,11-5+,13-8-

InChIKey

NEJKUCWBWUMARI-IOZUUXKMSA-N

SMILES

O1C2C(C(OC(=O)/C(/C)=C/C)CC(O)(C)C=CC(=O)C(=C2)CO)C(C1=O)=C

ChEBI Ontology
Outgoing	(1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide (CHEBI:175829) is a germacranolide (CHEBI:73011)

IUPAC Name

[(7Z,10Z)-6-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]uran-4-yl] (E)-2-methylbut-2-enoate