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CHEBI:200694 - Chloropestolide G

ChEBI IDCHEBI:200694
ChEBI NameChloropestolide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H31ClO10
Net Charge0
Average Mass611.043
Monoisotopic Mass610.16057
SMILESCC(C)=CC[C@]12O[C@H]1[C@@H](O)C=C1[C@H]3C=C(C)C[C@]4(C(=O)CO)[C@H]3C(=C(Cl)C(=O)[C@]43OC(=O)c4c(O)cc(C)cc4O3)O[C@H]12
InChIInChI=1S/C32H31ClO10/c1-13(2)5-6-31-27-17(10-19(36)28(31)42-31)16-7-15(4)11-30(21(37)12-34)23(16)25(40-27)24(33)26(38)32(30)41-20-9-14(3)8-18(35)22(20)29(39)43-32/h5,7-10,16,19,23,27-28,34-36H,6,11-12H2,1-4H3/t16-,19+,23-,27-,28+,30+,31-,32+/m1/s1
InChIKeySGULPRUTVAZIBI-AOSWHSIRSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (23489375)
ChEBI Ontology
Outgoing Relation(s)
Chloropestolide G (CHEBI:200694) is a phenols (CHEBI:33853)
IUPAC Name 
(1'S,2R,4'S,5'S,7'R,8'R,14'R,18'S)-11'-chloro-4',5-dihydroxy-14'-(2-hydroxyacetyl)-7,16'-dimethyl-7'-(3-methylbut-2-enyl)spiro[1,3-benzodioxine-2,13'-6,9-dioxapentacyclo[8.7.1.02,8.05,7.014,18]octadeca-2,10,16-triene]-4,12'-dione
Manual XrefsDatabases
78436650ChemSpider