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CHEBI:211712 - (+)-dalmanol C

ChEBI IDCHEBI:211712
ChEBI Name(+)-dalmanol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O9
Net Charge0
Average Mass530.529
Monoisotopic Mass530.15768
SMILESC[C@H](CC(=O)c1c(O)cccc1O)[C@H]1C(c2c(O)cccc2O)=C2C(=O)C=C(O)c3c(O)cc(O)c(c32)[C@@H]1C
InChIInChI=1S/C30H26O9/c1-12(9-18(35)25-14(31)5-3-6-15(25)32)23-13(2)24-19(36)10-20(37)27-21(38)11-22(39)28(30(24)27)29(23)26-16(33)7-4-8-17(26)34/h3-8,10-13,23,31-34,36-38H,9H2,1-2H3/t12-,13-,23-/m1/s1
InChIKeyLYOHBAPHLJXBJF-NSCUQIJASA-N
Species of MetaboliteComponentSourceComments
Daldinia eschscholzii IFB-TL01 (ncbitaxon:1169046) - PubMed (26363879)
ChEBI Ontology
Outgoing Relation(s)
(+)-dalmanol C (CHEBI:211712) is a benzenes (CHEBI:22712)
(+)-dalmanol C (CHEBI:211712) is a naphthalenes (CHEBI:25477)
(+)-dalmanol C (CHEBI:211712) is a ring assembly (CHEBI:36820)
IUPAC Name 
(7R,8R)-9-(2,6-dihydroxyphenyl)-8-[(2R)-4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-3,4,6-trihydroxy-7-methyl-7,8-dihydrophenalen-1-one
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78441498ChemSpider