CHEBI:203981 - Zaragozic acid D

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 D
ChEBI ID CHEBI:203981
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H46O14
Net Charge 0
Average Mass 678.728
Monoisotopic Mass 678.28876
InChI InChI=1S/C34H46O14/c1-4-5-6-7-11-19-25(36)46-27-26(37)32(47-28(29(38)39)33(44,30(40)41)34(27,48-32)31(42)43)20-13-18-24(45-22(3)35)21(2)14-12-17-23-15-9-8-10-16-23/h8-10,12,15-17,21,24,26-28,37,44H,4-7,11,13-14,18-20H2,1-3H3,(H,38,39)(H,40,41)(H,42,43)/b17-12+/t21-,24-,26-,27-,28-,32?,33-,34?/m1/s1
InChIKey CGQGIYLITCUENM-FNYWOIRSSA-N
SMILES O=C(O)[C@@]1(O)C2(OC(CCC[C@@H](OC(=O)C)[C@@H](C/C=C/C3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2OC(=O)CCCCCCC)O)C(=O)O
Metabolite of Species Details
Amauroascus niger (NCBI:txid89421) See: PubMed
ChEBI Ontology
Outgoing Zaragozic acid D (CHEBI:203981) has functional parent hexacarboxylic acid (CHEBI:59359)
Zaragozic acid D (CHEBI:203981) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,4S,6R,7R)-1-[(E,4R,5R)-4-acetyloxy-5-methyl-8-phenyloct-7-enyl]-4,7-dihydroxy-6-octanoyloxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Manual Xref Database
78439673 ChemSpider
View more database links