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CHEBI:209165 - Neo-debromoaplysiatoxin F

ChEBI IDCHEBI:209165
ChEBI NameNeo-debromoaplysiatoxin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O6
Net Charge0
Average Mass456.579
Monoisotopic Mass456.25119
SMILESCO[C@@H](CC[C@@H](C)[C@H]1OC2=C(C3=CC(=O)O[C@@]3(C)CC2(C)C)[C@H](O)[C@@H]1C)c1cccc(O)c1
InChIInChI=1S/C27H36O6/c1-15(10-11-20(31-6)17-8-7-9-18(28)12-17)24-16(2)23(30)22-19-13-21(29)33-27(19,5)14-26(3,4)25(22)32-24/h7-9,12-13,15-16,20,23-24,28,30H,10-11,14H2,1-6H3/t15-,16+,20+,23-,24-,27+/m1/s1
InChIKeySYIAQOXXOMCBRL-FLHPNQJKSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - PubMed (31766406)
ChEBI Ontology
Outgoing Relation(s)
Neo-debromoaplysiatoxin F (CHEBI:209165) is a benzyl ether (CHEBI:59859)
IUPAC Name 
(3aS,7R,8S,9R)-9-hydroxy-7-[(2R,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-3a,5,5,8-tetramethyl-4,7,8,9-tetrahydrouro[3,2-]chromen-2-one
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81131523ChemSpider