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CHEBI:218620 - Phomactin Q

ChEBI IDCHEBI:218620
ChEBI NamePhomactin Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESCC1=C2C(=O)[C@H]3O[C@]3(C)CC/C=C(\C)CC[C@@]1(C)[C@H](C)C[C@@H]2O
InChIInChI=1S/C20H30O3/c1-12-7-6-9-20(5)18(23-20)17(22)16-14(3)19(4,10-8-12)13(2)11-15(16)21/h7,13,15,18,21H,6,8-11H2,1-5H3/b12-7+/t13-,15+,18-,19+,20-/m1/s1
InChIKeyHTOWBYXPWRGARX-SYCHQQMWSA-N
Species of MetaboliteComponentSourceComments
Biatriospora (ncbitaxon:679174) - PubMed (30061613)
ChEBI Ontology
Outgoing Relation(s)
Phomactin Q (CHEBI:218620) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3S,5R,8E,12S,13R,15S)-15-hydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo[10.3.1.03,5]hexadeca-1(16),8-dien-2-one