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CHEBI:226021 - Alternarlactone A

ChEBI IDCHEBI:226021
ChEBI NameAlternarlactone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H18O12
Net Charge0
Average Mass558.451
Monoisotopic Mass558.07983
SMILESCOc1cc(O)c2c3c1Oc1c(O)cc4oc(=O)c5c(O)cc(OC)c6c5c4c1C1=C3[C@@](C)(CC(=O)[C@@]16O)OC2=O
InChIInChI=1S/C29H18O12/c1-28-7-14(33)29(36)21-12(37-2)4-8(30)15-18(21)17-11(39-26(15)34)6-10(32)24-20(17)23(29)22(28)19-16(27(35)41-28)9(31)5-13(38-3)25(19)40-24/h4-6,30-32,36H,7H2,1-3H3/t28-,29+/m1/s1
InChIKeyOFVMKRVGBKSDLT-WDYNHAJCSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (31409073)
ChEBI Ontology
Outgoing Relation(s)
Alternarlactone A (CHEBI:226021) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
(24R,27R)-8,14,20,27-tetrahydroxy-6,18-dimethoxy-24-methyl-11,16,23-trioxaoctacyclo[15.10.2.02,15.03,12.04,9.05,27.021,29.024,28]nonacosa-1(28),2(15),3(12),4(9),5,7,13,17,19,21(29)-decaene-10,22,26-trione
Manual XrefsDatabases
81360814ChemSpider