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CHEBI:224938 - 1-hydroxyserirubicin

ChEBI IDCHEBI:224938
ChEBI Name1-hydroxyserirubicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H80N2O22
Net Charge0
Average Mass1181.292
Monoisotopic Mass1180.52027
SMILESCC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)c2cc3c(c(O)c2[C@H]1OC1CC(N(C)C)C(OC2CC4OC5CC(=O)C(C)OC5OC4C(C)O2)C(C)O1)C(=O)c1c(O)ccc(O)c1C3=O
InChIInChI=1S/C60H80N2O22/c1-12-60(70)22-41(79-42-16-31(61(8)9)53(25(4)71-42)80-44-20-37-55(27(6)73-44)83-58-39(77-37)18-35(65)23(2)75-58)29-15-30-46(52(69)49-34(64)14-13-33(63)48(49)50(30)67)51(68)47(29)57(60)82-43-17-32(62(10)11)54(26(5)72-43)81-45-21-38-56(28(7)74-45)84-59-40(78-38)19-36(66)24(3)76-59/h13-15,23-28,31-32,37-45,53-59,63-64,68,70H,12,16-22H2,1-11H3/t23?,24?,25?,26?,27?,28?,31?,32?,37?,38?,39?,40?,41-,42?,43?,44?,45?,53?,54?,55?,56?,57+,58?,59?,60+/m0/s1
InChIKeyZOAWPNFRCKMMNQ-LIHKVVSMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3860495)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-hydroxyserirubicin (CHEBI:224938) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R,10R)-7,10-bis[[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy]-9-ethyl-1,4,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione