CHEBI:198056 - Cordyanhydride A

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ChEBI Name Cordyanhydride A
ChEBI ID CHEBI:198056
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C20H22O8
Net Charge 0
Average Mass 390.388
Monoisotopic Mass 390.13147
InChI InChI=1S/C20H22O8/c1-3-5-6-12-14(19(25)27-17(12)23)9-11(4-2)10-15-13(7-8-16(21)22)18(24)28-20(15)26/h5-6,11H,3-4,7-10H2,1-2H3,(H,21,22)/b6-5+/t11-/m1/s1
InChIKey LESRNXLJDKOYNX-MVIFTORASA-N
SMILES O=C1OC(=O)C(=C1/C=C/CC)C[C@H](CC=2C(=O)OC(C2CCC(=O)O)=O)CC
Metabolite of Species Details
Cordyceps (NCBI:txid45234) See: DOI
ChEBI Ontology
Outgoing Cordyanhydride A (CHEBI:198056) has functional parent hexacarboxylic acid (CHEBI:59359)
Cordyanhydride A (CHEBI:198056) is a organooxygen compound (CHEBI:36963)
IUPAC Name
3-[4-[2-[[4-[(E)-but-1-enyl]-2,5-dioxouran-3-yl]methyl]butyl]-2,5-dioxouran-3-yl]propanoic acid
Manual Xref Database
18976259 ChemSpider
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