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CHEBI:205537 - Pradimicin-T2

ChEBI IDCHEBI:205537
ChEBI NamePradimicin-T2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H37NO19
Net Charge0
Average Mass799.691
Monoisotopic Mass799.19598
SMILESCc1cc2c(c(O)c1C(=O)NCC(=O)O)-c1c(cc3c(c1O)C(=O)c1cc(OC4OCC(O)C(O)C4O)cc(O)c1C3=O)[C@H](O)[C@H]2OC1OC(C)C(O)C(O)C1O
InChIInChI=1S/C37H37NO19/c1-9-3-15-22(29(48)19(9)35(53)38-7-18(41)42)21-13(27(46)34(15)57-37-33(52)31(50)24(43)10(2)55-37)6-14-23(30(21)49)26(45)12-4-11(5-16(39)20(12)25(14)44)56-36-32(51)28(47)17(40)8-54-36/h3-6,10,17,24,27-28,31-34,36-37,39-40,43,46-52H,7-8H2,1-2H3,(H,38,53)(H,41,42)/t10?,17?,24?,27-,28?,31?,32?,33?,34-,36?,37?/m0/s1
InChIKeyYNXJAOKAYJEVKX-PTXRADAJSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (8501002)
ChEBI Ontology
Outgoing Relation(s)
Pradimicin-T2 (CHEBI:205537) is a quinone (CHEBI:36141)
Pradimicin-T2 (CHEBI:205537) is a tetracenes (CHEBI:51270)
IUPAC Name 
2-[[(5S,6S)-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-11-(3,4,5-trihydroxyoxan-2-yl)oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid
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78445151ChemSpider