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CHEBI:218633 - Phomactin S

Default Structure
ChEBI IDCHEBI:218633
ChEBI NamePhomactin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC[C@@H]1CC=C2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@@H]2C
InChIInChI=1S/C20H30O3/c1-12-6-7-14-13(2)18(12,3)10-11-19(4)15(22-19)8-9-20(5)17(23-20)16(14)21/h7,12-13,15,17H,6,8-11H2,1-5H3/t12-,13-,15+,17-,18+,19+,20-/m1/s1
InChIKeyPMBNNNXGNLUSDK-BIVJBNGQSA-N
Species of MetaboliteComponentSourceComments
Biatriospora (ncbitaxon:679174) - PubMed (30061613)
ChEBI Ontology
Outgoing Relation(s)
Phomactin S (CHEBI:218633) is a ketone (CHEBI:17087)
IUPAC Name 
(3S,5R,8S,10S,13S,14R,17S)-5,10,13,14,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadec-1(16)-en-2-one