CHEBI:222478 - Elloramycin E

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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 Elloramycin E
ChEBI ID CHEBI:222478
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H34O15
Net Charge 0
Average Mass 658.609
Monoisotopic Mass 658.18977
InChI InChI=1S/C32H34O15/c1-12-19-14(10-16(20(12)29(38)44-7)47-30-25(43-6)24(42-5)23(41-4)13(2)46-30)9-15-21(22(19)34)28(37)32(45-8)18(33)11-17(40-3)27(36)31(32,39)26(15)35/h9-11,13,23-25,30,34,39H,1-8H3/t13-,23-,24+,25-,30-,31+,32+/m0/s1
InChIKey MJSZOVKYEBNDOP-XOFLNJHASA-N
SMILES O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@H]([C@H](OC)[C@H]([C@@H]4OC)OC)C)=C(C3C)C(=O)OC)C=C2C(=O)[C@@]5([C@@]1(OC)C(=O)C=C(OC)C5=O)O
Metabolite of Species Details
Streptomyces olivaceus (NCBI:txid47716) See: PubMed
ChEBI Ontology
Outgoing Elloramycin E (CHEBI:222478) is a quinone (CHEBI:36141)
Elloramycin E (CHEBI:222478) is a tetracenes (CHEBI:51270)
IUPAC Name
methyl (6aR,10aR)-6a,12-dihydroxy-8,10a-dimethoxy-1-methyl-6,7,10,11-tetraoxo-3-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxytetracene-2-carboxylate
Manual Xref Database
78443015 ChemSpider
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