CHEBI:206522 - F-10863C

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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 F-10863C
ChEBI ID CHEBI:206522
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H52O14
Net Charge 0
Average Mass 768.853
Monoisotopic Mass 768.33571
InChI InChI=1S/C41H52O14/c1-27(17-15-23-30-21-12-8-13-22-30)31(52-28(2)42)24-16-26-39-33(44)34(41(55-39,38(49)50)40(51,37(47)48)35(54-39)36(45)46)53-32(43)25-14-6-4-3-5-9-18-29-19-10-7-11-20-29/h7-8,10-13,15,19-23,27,31,33-35,44,51H,3-6,9,14,16-18,24-26H2,1-2H3,(H,45,46)(H,47,48)(H,49,50)/b23-15+/t27?,31?,33-,34-,35-,39+,40+,41-/m0/s1
InChIKey OIONUHQXBWQMKU-JETLYKJPSA-N
SMILES O=C(O)[C@@]1(O)[C@@]2(O[C@@](CCCC(OC(=O)C)C(C/C=C/C3=CC=CC=C3)C)(O[C@H]1C(=O)O)[C@H]([C@@H]2OC(=O)CCCCCCCCC4=CC=CC=C4)O)C(=O)O
Metabolite of Species Details
Mollisia (NCBI:txid86026) See: PubMed
ChEBI Ontology
Outgoing F-10863C (CHEBI:206522) has functional parent hexacarboxylic acid (CHEBI:59359)
F-10863C (CHEBI:206522) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,3R,4S,5R,6S,7S)-1-[(E)-4-acetyloxy-5-methyl-8-phenyloct-7-enyl]-4,7-dihydroxy-6-(9-phenylnonanoyloxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Manual Xref Database
78437317 ChemSpider
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