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CHEBI:222984 - Phomactin A

ChEBI IDCHEBI:222984
ChEBI NamePhomactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESC/C1=C/CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@](C)(CC1)C1=C3[C@](O)(OC1)[C@H]2O
InChIInChI=1S/C20H30O4/c1-12-6-5-8-19(4)17(21)20(22)16-14(11-23-20)18(3,9-7-12)13(2)10-15(16)24-19/h6,13,15,17,21-22H,5,7-11H2,1-4H3/b12-6-/t13-,15-,17+,18+,19+,20+/m1/s1
InChIKeyABEFPCRGBOFMDC-OSERUOPNSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - DOI (10.1021/ja00014a053)
ChEBI Ontology
Outgoing Relation(s)
Phomactin A (CHEBI:222984) is a monosaccharide (CHEBI:35381)
IUPAC Name 
(1R,3R,4S,7Z,11S,12S,13S)-3,4,7,11-tetramethyl-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-diene-12,13-diol
Manual XrefsDatabases
4948105ChemSpider