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CHEBI:222137 - (+)-acetodalmanol B

ChEBI IDCHEBI:222137
ChEBI Name(+)-acetodalmanol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H26O9
Net Charge0
Average Mass554.551
Monoisotopic Mass554.15768
SMILESCC(O)=c1c(O)c2c3c(c1O)c(=O)cc1oc4cccc(=O)c4c(c13)[C@H]([C@H](C)CC(=O)c1c(O)cccc1O)[C@H]2C
InChIInChI=1S/C32H26O9/c1-12(10-18(37)25-15(34)6-4-7-16(25)35)22-13(2)23-30-27(32(40)24(14(3)33)31(23)39)19(38)11-21-28(30)29(22)26-17(36)8-5-9-20(26)41-21/h4-9,11-13,22,33-35,39-40H,10H2,1-3H3/t12-,13-,22-/m1/s1
InChIKeyQGXAARBBGWHTQS-GIYNXVAASA-N
Species of MetaboliteComponentSourceComments
Daldinia eschscholtzii (ncbitaxon:292717) - PubMed (21434637)
ChEBI Ontology
Outgoing Relation(s)
(+)-acetodalmanol B (CHEBI:222137) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
(17R,18R)-18-[(2R)-4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-13,15-dihydroxy-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
78440419ChemSpider