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CHEBI:166598 - Albanol B

ChEBI IDCHEBI:166598
ChEBI NameAlbanol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H22O8
Net Charge0
Average Mass558.542
Monoisotopic Mass558.13147
SMILESCc1cc2c3c(c1)-c1c(O)cc(-c4cc5ccc(O)cc5o4)cc1OC3(c1ccc(O)cc1O)Oc1cc(O)ccc1-2
InChIInChI=1S/C34H22O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-15,35-39H,1H3
InChIKeySMHBZVSVLIBGGO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Albanol B (CHEBI:166598) is a benzofurans (CHEBI:35259)
IUPAC Name 
1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzouran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol
Manual XrefsDatabases
421880ChemSpider
HMDB0030109HMDB
Registry NumbersSources
CAS:87084-99-9ChemIDplus