CHEBI:220565 - Phomactin E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Phomactin E
ChEBI ID CHEBI:220565
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O3
Net Charge 0
Average Mass 318.457
Monoisotopic Mass 318.21949
InChI InChI=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
InChIKey MLDXYOSNGPZNQW-LNLCPZQUSA-N
SMILES O=C1C2=CC[C@@H](C)[C@@]([C@@]2(O)C)(CCC(C)=CCC[C@]3([C@@H]1O3)C)C
Metabolite of Species Details
Phomaspecies (NCBI:txid1707701) See: PubMed
ChEBI Ontology
Outgoing 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