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CHEBI:204952 - Sf2446a2

ChEBI IDCHEBI:204952
ChEBI NameSf2446a2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H35NO15
Net Charge0
Average Mass697.646
Monoisotopic Mass697.20067
SMILESCOC(=O)c1c(C)cc2c(c1O)C1(O)C(=O)c3cc4c(c(O)c3C(=O)C1(OC)[C@@H](O)C2)C(=O)C=C(N[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](O)[C@H]1OC)C4=O
InChIInChI=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
InChIKeyQAXIGMXDHAMYPV-XKJORLMUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces dysideae (ncbitaxon:909626) - PubMed (25990954)
ChEBI Ontology
Outgoing Relation(s)
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
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78439691ChemSpider