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CHEBI:199699 - (+)-dalmanol B

ChEBI IDCHEBI:199699
ChEBI Name(+)-dalmanol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H24O8
Net Charge0
Average Mass512.514
Monoisotopic Mass512.14712
SMILESC[C@H](CC(=O)c1c(O)cccc1O)[C@H]1c2c3c(O)cccc3oc3cc(O)c4c(=O)cc(O)c(c4c23)[C@@H]1C
InChIInChI=1S/C30H24O8/c1-12(9-17(34)25-14(31)5-3-6-15(25)32)23-13(2)24-18(35)10-19(36)26-20(37)11-22-28(30(24)26)29(23)27-16(33)7-4-8-21(27)38-22/h3-8,10-13,23,31-33,35,37H,9H2,1-2H3/t12-,13-,23-/m1/s1
InChIKeyDXVDILBJEQUZBA-NSCUQIJASA-N
Species of MetaboliteComponentSourceComments
Daldinia eschscholtzii (ncbitaxon:292717) - PubMed (21434637)
ChEBI Ontology
Outgoing Relation(s)
(+)-dalmanol B (CHEBI:199699) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
(17R,18R)-18-[(2R)-4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-3,11,15-trihydroxy-17-methyl-8-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,14,16(20)-octaen-13-one
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78440054ChemSpider