CHEBI:189239 - Herqueioxazole

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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 Herqueioxazole
ChEBI ID CHEBI:189239
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H19NO6
Net Charge 0
Average Mass 381.384
Monoisotopic Mass 381.12124
InChI InChI=1S/C21H19NO6/c1-7-6-10(23)12-13-11(7)19-21(26,20(4,5)8(2)27-19)18(25)14(13)16(24)15-17(12)28-9(3)22-15/h6,8,23,26H,1-5H3/t8-,21+/m0/s1
InChIKey HYEFHQJWCGRMCN-HXNGOWOSSA-N
SMILES O1[C@H](C([C@]2(O)C1=C3C4=C(C2=O)C(=O)C=5N=C(OC5C4=C(O)C=C3C)C)(C)C)C
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Herqueioxazole (CHEBI:189239) is a naphthofuran (CHEBI:39270)
IUPAC Name
(15S,17S)-9,17-dihydroxy-5,11,15,16,16-pentamethyl-6,14-dioxa-4-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-1(19),3(7),4,8,10,12-hexaene-2,18-dione
Manual Xref Database
29215594 ChemSpider
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