CHEBI:189294 - Gelomulide N

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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 Gelomulide N
ChEBI ID CHEBI:189294
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H32O7
Net Charge 0
Average Mass 432.513
Monoisotopic Mass 432.21480
InChI InChI=1S/C24H32O7/c1-11-19-14(30-21(11)27)9-16-23(6)15(7-8-24(16)20(19)31-24)22(4,5)17(28-12(2)25)10-18(23)29-13(3)26/h14-18,20H,7-10H2,1-6H3/t14-,15-,16+,17+,18+,20-,23-,24+/m1/s1
InChIKey YOELDOOOBJSHSZ-SRFZOMHBSA-N
SMILES O1[C@]23[C@]([C@]4([C@](CC2)(C([C@@H](OC(=O)C)C[C@@H]4OC(=O)C)(C)C)[H])C)(C[C@]5(OC(=O)C(=C5[C@@]13[H])C)[H])[H]
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Gelomulide N (CHEBI:189294) is a naphthofuran (CHEBI:39270)
IUPAC Name
[(1S,3R,8R,10S,11R,12S,14S,16R)-12-acetyloxy-5,11,15,15-tetramethyl-6-oxo-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadec-4-en-14-yl] acetate
Manual Xref Database
22913473 ChemSpider
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