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CHEBI:220565 - Phomactin E

ChEBI IDCHEBI:220565
ChEBI NamePhomactin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC/C1=C/CC[C@]2(C)O[C@@H]2C(=O)C2=CC[C@@H](C)[C@](C)(CC1)[C@]2(C)O
InChIInChI=1S/C20H30O3/c1-13-7-6-11-19(4)17(23-19)16(21)15-9-8-14(2)18(3,12-10-13)20(15,5)22/h7,9,14,17,22H,6,8,10-12H2,1-5H3/b13-7-/t14-,17-,18+,19+,20-/m1/s1
InChIKeyMLDXYOSNGPZNQW-LNLCPZQUSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - PubMed (7490234)
ChEBI Ontology
Outgoing Relation(s)
Phomactin E (CHEBI:220565) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3S,5S,8Z,12S,13R,16S)-16-hydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one