CHEBI:217021 - Saccharothrixone B

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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 Saccharothrixone B
ChEBI ID CHEBI:217021
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H24O11
Net Charge 0
Average Mass 488.445
Monoisotopic Mass 488.13186
InChI InChI=1S/C24H24O11/c1-9-15-10(7-13(31-2)16(9)22(28)34-5)6-11-17(18(15)26)23(29)35-20(11)24(30)19(27)14(32-3)8-12(25)21(24)33-4/h6-8,19-21,26-27,30H,1-5H3/t19-,20+,21+,24+/m1/s1
InChIKey SZSCFLOURQLDGJ-XBJMDHIQSA-N
SMILES O=C1C=C(OC)[C@@H](O)[C@]([C@H]1OC)(O)[C@H]2OC(=O)C=3C2=CC4=CC(OC)=C(C(=C4C3O)C)C(=O)OC
Metabolite of Species Details
Saccharothrixspecies 10-10 (NCBI:txid1163266) See: PubMed
ChEBI Ontology
Outgoing Saccharothrixone B (CHEBI:217021) is a naphthofuran (CHEBI:39270)
IUPAC Name
methyl (1S)-1-[(1S,2S,6R)-1,2-dihydroxy-3,6-dimethoxy-5-oxocyclohex-3-en-1-yl]-4-hydroxy-7-methoxy-5-methyl-3-oxo-1H-benzo[][2]benzouran-6-carboxylate
Manual Xref Database
40256562 ChemSpider
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