CHEBI:80704 - Acevaltrate

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ChEBI Name Acevaltrate
ChEBI ID CHEBI:80704
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H32O10
Net Charge 0
Average Mass 480.50490
Monoisotopic Mass 480.19955
InChI InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1
InChIKey FWKBQAVMKVZEOT-STCFVSJZSA-N
SMILES CC(C)CC(=O)O[C@@H]1OC=C(COC(C)=O)C2=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]3(CO3)[C@@H]12
ChEBI Ontology
Outgoing Acevaltrate (CHEBI:80704) is a fatty acid ester (CHEBI:35748)
Manual Xrefs Databases
C00010724 KNApSAcK
C16752 KEGG COMPOUND
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Registry Number Type Source
25161-41-5 CAS Registry Number KEGG COMPOUND