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CHEBI:204589 - Urdamycin H

ChEBI IDCHEBI:204589
ChEBI NameUrdamycin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC50H60O18
Net Charge0
Average Mass949.012
Monoisotopic Mass948.37797
SMILESCC1OC(O[C@]23C(=O)C[C@](C)(O)C[C@@]2(O)C=CC2=C3c3oc(-c4ccc(O)cc4)c4cc(C5CC(OC6CCC(OC7CC(O)C(O)C(C)O7)C(C)O6)C(O)C(C)O5)c(O)c(c34)C2=O)CCC1O
InChIInChI=1S/C50H60O18/c1-21-30(52)10-12-37(62-21)68-50-35(54)19-48(5,59)20-49(50,60)15-14-27-41(50)47-39-29(46(67-47)25-6-8-26(51)9-7-25)16-28(45(58)40(39)44(27)57)33-18-34(43(56)24(4)61-33)66-36-13-11-32(22(2)63-36)65-38-17-31(53)42(55)23(3)64-38/h6-9,14-16,21-24,30-34,36-38,42-43,51-53,55-56,58-60H,10-13,17-20H2,1-5H3/t21?,22?,23?,24?,30?,31?,32?,33?,34?,36?,37?,38?,42?,43?,48-,49-,50-/m0/s1
InChIKeyNRRLTLDCIOYASW-DKSJQKFTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2808135)
ChEBI Ontology
Outgoing Relation(s)
Urdamycin H (CHEBI:204589) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(3S,6R,8R)-15-[4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-6,8,14-trihydroxy-3-(5-hydroxy-6-methyloxan-2-yl)oxy-18-(4-hydroxyphenyl)-6-methyl-19-oxapentacyclo[11.6.1.02,11.03,8.017,20]icosa-1(20),2(11),9,13,15,17-hexaene-4,12-dione