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CHEBI:218965 - Didymellamide H

ChEBI IDCHEBI:218965
ChEBI NameDidymellamide H
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DownloadsMolfile
FormulaC24H27NO6
Net Charge0
Average Mass425.481
Monoisotopic Mass425.18384
SMILESCC1=CC[C@@H]2[C@@H](C(=O)c3c(O)c(C4=C(O)C5OC5CC4)cn(O)c3=O)[C@@H](C)C=C[C@H]2C1
InChIInChI=1S/C24H27NO6/c1-11-3-6-14-13(9-11)5-4-12(2)18(14)22(28)19-20(26)16(10-25(30)24(19)29)15-7-8-17-23(31-17)21(15)27/h3-5,10,12-14,17-18,23,26-27,30H,6-9H2,1-2H3/t12-,13-,14-,17?,18-,23?/m0/s1
InChIKeyVULUABIEBSBZBB-IBFNRJFASA-N
Species of MetaboliteComponentSourceComments
Coniochaeta cephalothecoides (ncbitaxon:2033264) - PubMed (29019245)
ChEBI Ontology
Outgoing Relation(s)
Didymellamide H (CHEBI:218965) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
3-[(1S,2S,4aR,8aS)-2,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1-carbonyl]-1,4-dihydroxy-5-(2-hydroxy-7-oxabicyclo[4.1.0]hept-2-en-3-yl)pyridin-2-one
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78439479ChemSpider