CHEBI:200162 - Pileotin A

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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 Pileotin A
ChEBI ID CHEBI:200162
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H33NO7
Net Charge 0
Average Mass 519.594
Monoisotopic Mass 519.22570
InChI InChI=1S/C30H33NO7/c1-17(2)30(35)10-9-27(3)22-12-19-21(13-20(37-26(19)34)18-6-5-11-31-15-18)38-28(22,4)24(32)14-23(27)29(30)8-7-25(33)36-16-29/h5-6,11-13,15,23-24,32,35H,1,7-10,14,16H2,2-4H3/t23-,24-,27-,28+,29-,30+/m0/s1
InChIKey GHODSEBRMSIFPD-WKFBYQISSA-N
SMILES O=C1OC(C2=CN=CC=C2)=CC3=C1C=C4[C@]5([C@@H]([C@@]6([C@](O)(C(=C)C)CC5)COC(=O)CC6)C[C@@H]([C@@]4(O3)C)O)C
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: DOI
ChEBI Ontology
Outgoing Pileotin A (CHEBI:200162) is a organic heterotricyclic compound (CHEBI:26979)
Pileotin A (CHEBI:200162) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(2R,5R,6R,7S,9S,10R)-5,9-dihydroxy-2,10-dimethyl-5-prop-1-en-2-yl-14-pyridin-3-ylspiro[11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),12(17),13-triene-6,5'-oxane]-2',16-dione
Manual Xref Database
28533946 ChemSpider
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