CHEBI:214955 - Fusaprolifin 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 Fusaprolifin A
ChEBI ID CHEBI:214955
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H38O5
Net Charge 0
Average Mass 442.596
Monoisotopic Mass 442.27192
InChI InChI=1S/C27H38O5/c1-17-8-7-13-26(5)14-12-22(32-26)18(2)9-10-21-23(19(3)16-31-20(4)28)24(29)25(30)27(21,6)15-11-17/h7,9,11,13,19,21-22,29H,8,10,12,14-16H2,1-6H3/b13-7+,17-11+,18-9+/t19-,21-,22-,26-,27+/m1/s1
InChIKey ZEIXQVUXYJFZIW-NMLHJAMPSA-N
SMILES O=C1C(O)=C([C@@H](COC(=O)C)C)[C@@H]2[C@@]1(CC=C(CC=C[C@]3(O[C@@H](C(=CC2)C)CC3)C)C)C
Metabolite of Species Details
Fusarium (NCBI:txid5506) See: DOI
ChEBI Ontology
Outgoing Fusaprolifin A (CHEBI:214955) is a oxolanes (CHEBI:26912)
IUPAC Name
[(2S)-2-[(1R,2E,5R,9S,11E,14E,16S)-7-hydroxy-2,9,12,16-tetramethyl-8-oxo-19-oxatricyclo[14.2.1.05,9]nonadeca-2,6,11,14-tetraen-6-yl]propyl] acetate
Manual Xref Database
29215528 ChemSpider
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