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CHEBI:215736 - Cordyanhydride B

ChEBI IDCHEBI:215736
ChEBI NameCordyanhydride B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O11
Net Charge0
Average Mass556.564
Monoisotopic Mass556.19446
SMILESCC/C=C/C1=C(CC(CC)CC2=C(CC(CC)CC3=C(CCC(=O)O)C(=O)OC3=O)C(=O)OC2=O)C(=O)OC1=O
InChIInChI=1S/C29H32O11/c1-4-7-8-17-19(26(34)38-24(17)32)11-15(5-2)13-21-22(29(37)40-28(21)36)14-16(6-3)12-20-18(9-10-23(30)31)25(33)39-27(20)35/h7-8,15-16H,4-6,9-14H2,1-3H3,(H,30,31)/b8-7+
InChIKeyPHRCULZLDFTOFU-BQYQJAHWSA-N
Species of MetaboliteComponentSourceComments
Cordyceps (ncbitaxon:45234) - DOI (10.1016/s0040-4039(00)00008-3)
ChEBI Ontology
Outgoing Relation(s)
Cordyanhydride B (CHEBI:215736) is a butenolide (CHEBI:50523)
IUPAC Name 
3-[4-[2-[[4-[2-[[4-[(E)-but-1-enyl]-2,5-dioxouran-3-yl]methyl]butyl]-2,5-dioxouran-3-yl]methyl]butyl]-2,5-dioxouran-3-yl]propanoic acid
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