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CHEBI:218783 - Cyclohelminthol X

ChEBI IDCHEBI:218783
ChEBI NameCyclohelminthol X
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H40ClNO9
Net Charge0
Average Mass642.145
Monoisotopic Mass641.23916
SMILESC/C=C/C(=O)[C@@]1(O)C[C@@H]2C[C@H](C(=O)O)C[C@H](C)[C@H]2[C@@H]1C(=O)[C@]12C(=O)NC(=O)[C@@]1(CCCCCC)[C@]21C(=O)C(Cl)=C(/C=C/C)C1=O
InChIInChI=1S/C34H40ClNO9/c1-5-8-9-10-13-32-29(43)36-30(44)34(32,33(32)25(38)20(11-6-2)24(35)27(33)40)26(39)23-22-17(4)14-18(28(41)42)15-19(22)16-31(23,45)21(37)12-7-3/h6-7,11-12,17-19,22-23,45H,5,8-10,13-16H2,1-4H3,(H,41,42)(H,36,43,44)/b11-6+,12-7+/t17-,18+,19-,22+,23+,31-,32-,33-,34-/m0/s1
InChIKeyKBWKWUJPGLJPHK-YEYIOALGSA-N
Species of MetaboliteComponentSourceComments
Helminthosporium (ncbitaxon:58127) - PubMed (28467078)
ChEBI Ontology
Outgoing Relation(s)
Cyclohelminthol X (CHEBI:218783) is a prostanoid (CHEBI:26347)
IUPAC Name 
(1S,2R,3aS,5R,7S,7aR)-2-[(E)-but-2-enoyl]-1-[(1R,5S,6S)-1'-chloro-5-hexyl-2,3',4,5'-tetraoxo-2'-[(E)-prop-1-enyl]spiro[3-azabicyclo[3.1.0]hexane-6,4'-cyclopentene]-1-carbonyl]-2-hydroxy-7-methyl-1,3,3a,4,5,6,7,7a-octahydroindene-5-carboxylic acid
Manual XrefsDatabases
78439458ChemSpider