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CHEBI:206186 - Phomaketide B

ChEBI IDCHEBI:206186
ChEBI NamePhomaketide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33ClO6
Net Charge0
Average Mass428.953
Monoisotopic Mass428.19657
SMILESCO[C@H]1[C@@H](OC(=O)/C=C/[C@H]2O[C@@H]2C)CC[C@@](O)(CCl)[C@@H]1[C@@]1(C)O[C@H]1CC=C(C)C
InChIInChI=1S/C22H33ClO6/c1-13(2)6-8-17-21(4,29-17)20-19(26-5)16(10-11-22(20,25)12-23)28-18(24)9-7-15-14(3)27-15/h6-7,9,14-17,19-20,25H,8,10-12H2,1-5H3/b9-7+/t14-,15-,16+,17+,19+,20+,21+,22-/m1/s1
InChIKeyHVVQOFBOWDNQCO-PIPZUTLJSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies NTOU4195 (ncbitaxon:1889261) - PubMed (27976895)
ChEBI Ontology
Outgoing Relation(s)
Phomaketide B (CHEBI:206186) is a cyclohexanols (CHEBI:23480)
IUPAC Name 
[(1S,2R,3R,4S)-4-(chloromethyl)-4-hydroxy-2-methoxy-3-[(2R,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl] (E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoate
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60596843ChemSpider