(3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimethoxy-3-ol (CHEBI:172554)

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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	(3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimethoxy-3-ol

ChEBI ID	CHEBI:172554

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H30O5

Net Charge

Average Mass

326.433

Monoisotopic Mass

326.20932

InChI

InChI=1S/C18H30O5/c1-10-14-15(20-4)17(3)11(2)13(19)8-7-12(17)9-18(14,22-6)23-16(10)21-5/h11-13,15-16,19H,7-9H2,1-6H3

InChIKey

CLQUNRBWTPVVAG-UHFFFAOYSA-N

SMILES

O1C2(OC)CC3C(C(C(O)CC3)C)(C(OC)C2=C(C1OC)C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

ChEBI Ontology
Outgoing	(3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimethoxy-3-ol (CHEBI:172554) is a naphthofuran (CHEBI:39270)

IUPAC Name

2,4,9a-trimethoxy-3,4a,5-trimethyl-2,4,5,6,7,8,8a,9-octahydrobenzo[][1]benzouran-6-ol