CHEBI:204665 - Dechloro-chaetomugilin 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 Dechloro-chaetomugilin A
ChEBI ID CHEBI:204665
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H28O7
Net Charge 0
Average Mass 416.470
Monoisotopic Mass 416.18350
InChI InChI=1S/C23H28O7/c1-11(13(3)24)6-7-16-8-15-9-18(25)22(5)19(17(15)10-28-16)20-21(26)29-14(4)12(2)23(20,27)30-22/h6-14,19-20,24,27H,1-5H3/b7-6+/t11-,12-,13-,14-,19-,20+,22-,23-/m1/s1
InChIKey FIRMJNKFPAFPLC-WKPSVYJBSA-N
SMILES O=C1C=C2C(=COC(=C2)/C=C/[C@H]([C@H](O)C)C)[C@H]3[C@@]1(O[C@]4(O)[C@@H]([C@@H](C)OC([C@H]34)=O)C)C
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: PubMed
ChEBI Ontology
Outgoing Dechloro-chaetomugilin A (CHEBI:204665) is a δ-lactone (CHEBI:18946)
IUPAC Name
(1S,10S,12R,13R,14R,17R)-12-hydroxy-5-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-10,13,14-trimethyl-4,11,15-trioxatetracyclo[8.7.0.02,7.012,17]heptadeca-2,5,7-triene-9,16-dione
Manual Xref Database
29214997 ChemSpider
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