CHEBI:204952 - Sf2446a2

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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 Sf2446a2
ChEBI ID CHEBI:204952
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H35NO15
Net Charge 0
Average Mass 697.646
Monoisotopic Mass 697.20067
InChI InChI=1S/C34H35NO15/c1-11-7-13-8-18(37)34(49-6)30(43)21-15(29(42)33(34,45)22(13)25(40)19(11)32(44)48-5)9-14-20(24(21)39)17(36)10-16(23(14)38)35-31-28(47-4)26(41)27(46-3)12(2)50-31/h7,9-10,12,18,26-28,31,35,37,39-41,45H,8H2,1-6H3/t12-,18-,26+,27-,28+,31+,33?,34?/m0/s1
InChIKey QAXIGMXDHAMYPV-XKJORLMUSA-N
SMILES O=C1C(N[C@@H]2O[C@H]([C@H](OC)[C@H]([C@H]2OC)O)C)=CC(=O)C3=C1C=C4C(=O)C5(O)C6=C(O)C(=C(C)C=C6C[C@@H](C5(C(C4=C3O)=O)OC)O)C(=O)OC
Metabolite of Species Details
Streptomyces dysideae (NCBI:txid909626) See: PubMed
ChEBI Ontology
Outgoing Sf2446a2 (CHEBI:204952) is a quinone (CHEBI:36141)
Sf2446a2 (CHEBI:204952) is a tetracenes (CHEBI:51270)
IUPAC Name
methyl (6S)-1,6,8,14a-tetrahydroxy-11-[[(2R,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]amino]-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate
Manual Xref Database
78439691 ChemSpider
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