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CHEBI:206644 - Sporochartine F

ChEBI IDCHEBI:206644
ChEBI NameSporochartine F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O9
Net Charge0
Average Mass508.608
Monoisotopic Mass508.26723
SMILESCCCCCC[C@@H](O)[C@@]1(C[C@@H]2C(=O)O[C@@H]3[C@H]2C(=O)O[C@@H]3CCCCCC)OC(=O)C(C)=C1C(=O)OC
InChIInChI=1S/C27H40O9/c1-5-7-9-11-13-18-22-20(25(31)34-18)17(24(30)35-22)15-27(19(28)14-12-10-8-6-2)21(26(32)33-4)16(3)23(29)36-27/h17-20,22,28H,5-15H2,1-4H3/t17-,18+,19+,20-,22-,27+/m0/s1
InChIKeyCPYDOXWTPKFFRN-KYZFODTRSA-N
Species of MetaboliteComponentSourceComments
Nodulisporiumspecies A21 (ncbitaxon:1647372) - PubMed (30789727)
ChEBI Ontology
Outgoing Relation(s)
Sporochartine F (CHEBI:206644) has functional parent tetracarboxylic acid (CHEBI:35742)
Sporochartine F (CHEBI:206644) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl (2S)-2-[[(3S,3aS,6R,6aR)-6-hexyl-2,4-dioxo-3,3a,6,6a-tetrahydrouro[2,3-c]uran-3-yl]methyl]-2-[(1R)-1-hydroxyheptyl]-4-methyl-5-oxouran-3-carboxylate