CHEBI:214146 - Zaragozic acid E

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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 Zaragozic acid E
ChEBI ID CHEBI:214146
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H50O12
Net Charge 0
Average Mass 722.828
Monoisotopic Mass 722.33023
InChI InChI=1S/C40H50O12/c1-27(17-13-23-29-19-5-3-6-20-29)15-9-10-25-31(41)50-33-32(42)38(26-12-11-16-28(2)18-14-24-30-21-7-4-8-22-30)51-34(35(43)44)39(49,36(45)46)40(33,52-38)37(47)48/h3-9,11,15-16,19-22,27-28,32-34,42,49H,10,12-14,17-18,23-26H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)/b15-9+,16-11+/t27?,28?,32-,33-,34?,38?,39?,40?/m1/s1
InChIKey HPNWHOBVFZEFCZ-RMZZEEJUSA-N
SMILES O=C(O)C1(O)C2(OC(CC/C=C/C(CCCC3=CC=CC=C3)C)(OC1C(=O)O)[C@@H]([C@H]2OC(=O)CC/C=C/C(CCCC4=CC=CC=C4)C)O)C(=O)O
Metabolite of Species Details
Leptodontidium elatius (NCBI:txid187858) See: DOI
ChEBI Ontology
Outgoing Zaragozic acid E (CHEBI:214146) has functional parent tetracarboxylic acid (CHEBI:35742)
Zaragozic acid E (CHEBI:214146) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(6R,7R)-4,7-dihydroxy-6-[(E)-6-methyl-9-phenylnon-4-enoyl]oxy-1-[(E)-5-methyl-8-phenyloct-3-enyl]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Manual Xref Database
78445560 ChemSpider
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