CHEBI:209899 - Linfuranone B

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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 Linfuranone B
ChEBI ID CHEBI:209899
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H42O7
Net Charge 0
Average Mass 478.626
Monoisotopic Mass 478.29305
InChI InChI=1S/C27H42O7/c1-7-8-15-24(29)33-20(4)16-19(3)25(30)18(2)13-11-9-10-12-14-22(28)17-23-21(5)26(31)27(6,32)34-23/h9-11,13,16,18,20,22,25,28,30,32H,7-8,12,14-15,17H2,1-6H3/t18-,20-,22-,25-,27?/m1/s1
InChIKey JIOBJQVDMQELKP-XUIGBLHPSA-N
SMILES O=C1C(=C(C[C@H](O)CCC=CC=C[C@H]([C@@H](O)C(=C[C@H](OC(=O)CCCC)C)C)C)OC1(O)C)C
Metabolite of Species Details
Sphaerimonospora mesophila (NCBI:txid37483) See: PubMed
ChEBI Ontology
Outgoing Linfuranone B (CHEBI:209899) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name
[(2R,5R,6R,13R)-5,13-dihydroxy-14-(5-hydroxy-3,5-dimethyl-4-oxouran-2-yl)-4,6-dimethyltetradeca-3,7,9-trien-2-yl] pentanoate