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CHEBI:209733 - Cuautepestalorin

ChEBI IDCHEBI:209733
ChEBI NameCuautepestalorin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36O10
Net Charge0
Average Mass580.630
Monoisotopic Mass580.23085
SMILESCCCCC[C@@H]1OC=C2[C@H]3OC(C)(C)[C@H](O)C[C@]34O[C@@H]4C(=O)[C@@]23Cc2oc(=O)c4c(O)c(C)c(O)c(C=O)c4c2C[C@@H]13
InChIInChI=1S/C32H36O10/c1-5-6-7-8-19-17-9-15-20(40-29(38)23-22(15)16(12-33)24(35)14(2)25(23)36)10-31(17)18(13-39-19)27-32(28(42-32)26(31)37)11-21(34)30(3,4)41-27/h12-13,17,19,21,27-28,34-36H,5-11H2,1-4H3/t17-,19-,21+,27+,28+,31+,32-/m0/s1
InChIKeyLPHBIIBUXFWBNB-ASIBKEJZSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (31033302)
ChEBI Ontology
Outgoing Relation(s)
Cuautepestalorin (CHEBI:209733) is a isocoumarins (CHEBI:38758)
IUPAC Name 
(1R,3S,5S,7R,10R,14S,15R)-7,20,22-trihydroxy-8,8,21-trimethyl-2,24-dioxo-14-pentyl-4,9,13,25-tetraoxaheptacyclo[13.12.0.01,11.03,5.05,10.017,26.018,23]heptacosa-11,17(26),18,20,22-pentaene-19-carbaldehyde