CHEBI:2928 - Auriculine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Auriculine
ChEBI ID CHEBI:2928
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
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Formula C31H45NO8
Net Charge 0
Average Mass 559.692
Monoisotopic Mass 559.31452
InChI InChI=1S/C31H45NO8/c1-18(2)7-9-20-14-23(30(37)38-17-22-11-13-32-12-5-6-24(22)32)15-21(10-8-19(3)4)29(20)40-31-28(36)27(35)26(34)25(16-33)39-31/h7-8,14-15,22,24-28,31,33-36H,5-6,9-13,16-17H2,1-4H3/t22-,24-,25-,26-,27+,28-,31+/m1/s1
InChIKey FQXZITIIHQHGBC-KRYJLITLSA-N
SMILES CC(C)=CCc1cc(cc(CC=C(C)C)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC[C@H]1CCN2CCC[C@H]12
ChEBI Ontology
Outgoing Auriculine (CHEBI:2928) is a L-α-D-Hepp-(1→7)-L-α-D-Hepp-(1→3)-L-α-D-Hepp-(1→5)-α-Kdo (CHEBI:78618)
Synonym Source
Auriculine KEGG COMPOUND
Manual Xrefs Databases
C00002081 KNApSAcK
C10280 KEGG COMPOUND
View more database links
Registry Number Type Source
22595-00-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014