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CHEBI:214619 - Phomactin I

ChEBI IDCHEBI:214619
ChEBI NamePhomactin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC=C1C2=C[C@H](O)[C@@H](C)[C@]1(C)CC[C@]1(C)O[C@H]1CC[C@@]1(C)O[C@@H]1C2=O
InChIInChI=1S/C20H28O4/c1-11-13-10-14(21)12(2)18(11,3)8-9-19(4)15(23-19)6-7-20(5)17(24-20)16(13)22/h10,12,14-15,17,21H,1,6-9H2,2-5H3/t12-,14+,15+,17-,18-,19+,20-/m1/s1
InChIKeyVFVFKTQEVKMQJC-BKYSWEQVSA-N
ChEBI Ontology
Outgoing Relation(s)
Phomactin I (CHEBI:214619) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3S,5R,8S,10S,13S,14S,15S)-15-hydroxy-5,10,13,14-tetramethyl-17-methylidene-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadec-1(16)-en-2-one
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27025377ChemSpider