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CHEBI:227783 - (-)-acetodalmanol A

ChEBI IDCHEBI:227783
ChEBI Name(-)-acetodalmanol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H16O7
Net Charge0
Average Mass392.363
Monoisotopic Mass392.08960
SMILESCC(O)=c1c(O)c2c3c(c1O)c(=O)cc1oc4cccc(=O)c4c(c13)[C@@H](O)[C@@H]2C
InChIInChI=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+/m1/s1
InChIKeyCPCSDKBGBORODJ-GLEHDBDLSA-N
Species of MetaboliteComponentSourceComments
Daldinia eschscholtzii (ncbitaxon:292717) - PubMed (21434637)
ChEBI Ontology
Outgoing Relation(s)
(-)-acetodalmanol A (CHEBI:227783) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
(17R,18S)-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
Manual XrefsDatabases
78440333ChemSpider