CHEBI:198214 - Zaragozic acid F-10863A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Zaragozic acid F-10863A
ChEBI ID CHEBI:198214
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H50O14
Net Charge 0
Average Mass 766.837
Monoisotopic Mass 766.32006
InChI InChI=1S/C41H50O14/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/h7-13,15,18-23,27,31,33-35,44,51H,3-6,14,16-17,24-26H2,1-2H3,(H,45,46)(H,47,48)(H,49,50)/b18-9+,23-15+/t27?,31?,33-,34-,35-,39?,40-,41?/m1/s1
InChIKey DAIUNLCLMAJMGY-HJWTWWBJSA-N
SMILES O=C(O)[C@@]1(O)C2(OC(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)CCCCCC/C=C/C4=CC=CC=C4)O)C(=O)O
Metabolite of Species Details
Mollisia (NCBI:txid86026) See: PubMed
ChEBI Ontology
Outgoing Zaragozic acid F-10863A (CHEBI:198214) has functional parent hexacarboxylic acid (CHEBI:59359)
Zaragozic acid F-10863A (CHEBI:198214) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,4S,6R,7R)-1-[(E)-4-acetyloxy-5-methyl-8-phenyloct-7-enyl]-4,7-dihydroxy-6-[(E)-9-phenylnon-8-enoyl]oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Manual Xref Database
78445018 ChemSpider
View more database links