CHEBI:200694 - Chloropestolide G

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Chloropestolide G
ChEBI ID CHEBI:200694
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H31ClO10
Net Charge 0
Average Mass 611.040
Monoisotopic Mass 610.16057
InChI InChI=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
InChIKey SGULPRUTVAZIBI-AOSWHSIRSA-N
SMILES ClC=1C(=O)[C@]2(OC(=O)C=3C(O)=CC(=CC3O2)C)[C@]4(C(=O)CO)CC(C)=C[C@H]5[C@@H]4C1O[C@@H]6C5=C[C@H](O)[C@H]7[C@@]6(O7)CC=C(C)C
Metabolite of Species Details
Pestalotiopsis fici (NCBI:txid393283) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78436650 ChemSpider
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