CHEBI:222984 - Phomactin A

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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 A
ChEBI ID CHEBI:222984
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O4
Net Charge 0
Average Mass 334.456
Monoisotopic Mass 334.21441
InChI InChI=1S/C20H30O4/c1-12-6-5-8-19(4)17(21)20(22)16-14(11-23-20)18(3,9-7-12)13(2)10-15(16)24-19/h6,13,15,17,21-22H,5,7-11H2,1-4H3/b12-6-/t13-,15-,17+,18+,19+,20+/m1/s1
InChIKey ABEFPCRGBOFMDC-OSERUOPNSA-N
SMILES O1[C@@]2([C@H](O)[C@]3(OCC4=C3[C@H]1C[C@@H](C)[C@@]4(CCC(=CCC2)C)C)O)C
Metabolite of Species Details
Phomaspecies (NCBI:txid1707701) See: DOI
ChEBI Ontology
Outgoing Phomactin A (CHEBI:222984) is a monosaccharide (CHEBI:35381)
IUPAC Name
(1R,3R,4S,7Z,11S,12S,13S)-3,4,7,11-tetramethyl-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-diene-12,13-diol
Manual Xref Database
4948105 ChemSpider
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