3,12,13,15,16-Pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione (CHEBI:181681)

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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	3,12,13,15,16-Pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione

ChEBI ID	CHEBI:181681

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H28O8

Net Charge

Average Mass

396.436

Monoisotopic Mass

396.17842

InChI

InChI=1S/C20H28O8/c1-7-5-10(21)15(24)18(3)9(7)6-11-19(4)14(18)13(23)12(22)8(2)20(19,27)16(25)17(26)28-11/h5,8-9,11-16,22-25,27H,6H2,1-4H3

InChIKey

NWNMAVFXIRDAPM-UHFFFAOYSA-N

SMILES

O1C2C3(C(C4(C(C2)C(=CC(=O)C4O)C)C)C(O)C(O)C(C3(O)C(O)C1=O)C)C

ChEBI Ontology
Outgoing	3,12,13,15,16-Pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione (CHEBI:181681) is a quassinoid (CHEBI:72485)

IUPAC Name

3,12,13,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione