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CHEBI:215489 - (-)-dalmanol B

ChEBI IDCHEBI:215489
ChEBI Name(-)-dalmanol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H24O8
Net Charge0
Average Mass512.514
Monoisotopic Mass512.14712
SMILESC[C@@H]1c2c(O)cc(=O)c3c(O)cc4oc5cccc(O)c5c(c4c23)[C@H]1[C@@H](C)CC(=O)c1c(O)cccc1O
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-/m0/s1
InChIKeyDXVDILBJEQUZBA-XCMOZONUSA-N
Species of MetaboliteComponentSourceComments
Daldinia eschscholtzii (ncbitaxon:292717) - PubMed (21434637)
ChEBI Ontology
Outgoing Relation(s)
(-)-dalmanol B (CHEBI:215489) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
(17S,18S)-18-[(2S)-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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78440266ChemSpider