(+)-acetodalmanol A (CHEBI:203734)

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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	(+)-acetodalmanol A

ChEBI ID	CHEBI:203734

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H16O7

Net Charge

Average Mass

392.363

Monoisotopic Mass

392.08960

InChI

InChI=1S/C22H16O7/c1-7-13-18-16(22(28)14(8(2)23)21(13)27)10(25)6-12-17(18)19(20(7)26)15-9(24)4-3-5-11(15)29-12/h3-7,20,23,26-28H,1-2H3/t7-,20+/m0/s1

InChIKey

CPCSDKBGBORODJ-SVWIBVJCSA-N

SMILES

O=C1C2=C(O)C(C(O)=C3C2=C4C(=C5C(=O)C=CC=C5OC4=C1)[C@H](O)[C@H]3C)=C(O)C

Metabolite of Species	Details
Daldinia eschscholtzii (NCBI:txid292717)	See: PubMed

ChEBI Ontology
Outgoing	(+)-acetodalmanol A (CHEBI:203734) is a isoflavonoid (CHEBI:50753)

IUPAC Name

(17S,18R)-13,15,18-trihydroxy-14-(1-hydroxyethylidene)-17-methyl-8-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1,4,6,9,12,15,19-heptaene-3,11-dione