CHEBI:217997 - Trichobotryside 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 Trichobotryside A
ChEBI ID CHEBI:217997
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O8
Net Charge 0
Average Mass 400.468
Monoisotopic Mass 400.20972
InChI InChI=1S/C20H32O8/c1-13(21)11-17-7-3-15(23)6-10-20(26)28-18(12-14(2)22)8-4-16(24)5-9-19(25)27-17/h5-6,9-10,13-18,21-24H,3-4,7-8,11-12H2,1-2H3/b9-5+,10-6+/t13-,14-,15+,16+,17-,18-/m0/s1
InChIKey BEERLEXZFIUGCD-YJIXLFKXSA-N
SMILES O=C1O[C@@H](CC[C@@H](O)C=CC(=O)O[C@@H](CC[C@H](C=C1)O)C[C@@H](O)C)C[C@@H](O)C
Metabolite of Species Details
Trichobotrys (NCBI:txid1520156) See: DOI
ChEBI Ontology
Outgoing Trichobotryside A (CHEBI:217997) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-bis[(2S)-2-hydroxypropyl]-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
Manual Xref Database
58196449 ChemSpider
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