Vernolepin methanol adduct (CHEBI:181673)

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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	Vernolepin methanol adduct

ChEBI ID	CHEBI:181673

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

Submitter	MetaboLights

Supplier Information

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Formula

C16H20O6

Net Charge

Average Mass

308.330

Monoisotopic Mass

308.12599

InChI

InChI=1S/C16H20O6/c1-5-16-6-10(17)11(8(2)14(19)21-4)13(18)12(16)9(3)15(20)22-7-16/h5,10-13,17-18H,1-3,6-7H2,4H3

InChIKey

YTDYKYPXYRZGQN-UHFFFAOYSA-N

SMILES

O1CC2(C(C(O)C(C(O)C2)C(C(OC)=O)=C)C(C1=O)=C)C=C

ChEBI Ontology
Outgoing	Vernolepin methanol adduct (CHEBI:181673) is a terpene lactone (CHEBI:37668)

IUPAC Name

methyl 2-(8a-ethenyl-5,7-dihydroxy-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-6-yl)prop-2-enoate