(3S)-9,10-dihydroxy-7-methoxy-3-(2-oxopropyl)-1H,3H,4H-naphtho[2,3-c]pyran-1-one (CHEBI:146011)

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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	(3S)-9,10-dihydroxy-7-methoxy-3-(2-oxopropyl)-1H,3H,4H-naphtho[2,3-c]pyran-1-one

ChEBI ID	CHEBI:146011

ChEBI ASCII Name	(3S)-9,10-dihydroxy-7-methoxy-3-(2-oxopropyl)-1H,3H,4H-naphtho[2,3-c]pyran-1-one

Definition	This is compound 6 in pmid:31045362

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

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C17H16O6

Net Charge

Average Mass

316.309

Monoisotopic Mass

316.09469

InChI

InChI=1S/C17H16O6/c1-8(18)3-12-6-10-4-9-5-11(22-2)7-13(19)14(9)16(20)15(10)17(21)23-12/h4-5,7,12,19-20H,3,6H2,1-2H3/t12-/m1/s1

InChIKey

IAKUBBVEJZWVIH-GFCCVEGCSA-N

SMILES

C=12C(=C3C(=CC(=CC3=CC1C[C@H](OC2=O)CC(C)=O)OC)O)O

ChEBI Ontology
Outgoing	(3S)-9,10-dihydroxy-7-methoxy-3-(2-oxopropyl)-1H,3H,4H-naphtho[2,3-c]pyran-1-one (CHEBI:146011) is a heptaketide (CHEBI:59872) (3S)-9,10-dihydroxy-7-methoxy-3-(2-oxopropyl)-1H,3H,4H-naphtho[2,3-c]pyran-1-one (CHEBI:146011) is a naphtho-α-pyrone (CHEBI:146280) (3S)-9,10-dihydroxy-7-methoxy-3-(2-oxopropyl)-1H,3H,4H-naphtho[2,3-c]pyran-1-one (CHEBI:146011) is a phenols (CHEBI:33853)

Synonym	Source
(3S)-9,10-dihydroxy-7-methoxy-3-(2-oxopropyl)-1H,3H,4H-naphtho[2,3-c]pyran-1-one	UniProt

Citation	Type	Source
31045362	PubMed citation	SUBMITTER

Last Modified

09 March 2020