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CHEBI:205667 - Phomactin B2

ChEBI IDCHEBI:205667
ChEBI NamePhomactin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILESC=C1C2=C[C@H](O)[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1C2=O
InChIInChI=1S/C20H28O3/c1-12-7-6-9-20(5)18(23-20)17(22)15-11-16(21)14(3)19(4,10-8-12)13(15)2/h7,11,14,16,18,21H,2,6,8-10H2,1,3-5H3/b12-7+/t14-,16+,18-,19-,20-/m1/s1
InChIKeyVHPDNWQKZMURPV-SXTALHNFSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - DOI (10.1021/jo00082a012)
ChEBI Ontology
Outgoing Relation(s)
Phomactin B2 (CHEBI:205667) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3S,5R,8E,12S,13S,14S)-14-hydroxy-5,9,12,13-tetramethyl-16-methylidene-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one
Manual XrefsDatabases
8217028ChemSpider