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CHEBI:226026 - Alternarlactone B

ChEBI IDCHEBI:226026
ChEBI NameAlternarlactone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H20O12
Net Charge0
Average Mass560.467
Monoisotopic Mass560.09548
SMILESCOc1cc(O)c2c(c1)C1=CC(=O)[C@@]3(O)Oc4c(O)cc5oc(=O)c6c(O)cc(OC)cc6c5c4[C@@H]3[C@]1(C)OC2=O
InChIInChI=1S/C29H20O12/c1-28-14(12-4-10(37-2)6-15(30)20(12)27(35)41-28)8-19(33)29(36)25(28)23-22-13-5-11(38-3)7-16(31)21(13)26(34)39-18(22)9-17(32)24(23)40-29/h4-9,25,30-32,36H,1-3H3/t25-,28-,29-/m1/s1
InChIKeyMEPCMQYQJVRCRO-MOZWKJSSSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (31409073)
ChEBI Ontology
Outgoing Relation(s)
Alternarlactone B (CHEBI:226026) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
(1R,17S,29S)-8,14,17,25-tetrahydroxy-6,23-dimethoxy-29-methyl-11,16,28-trioxaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.021,26]nonacosa-2(15),3(12),4(9),5,7,13,19,21(26),22,24-decaene-10,18,27-trione
Manual XrefsDatabases
81360815ChemSpider