CHEBI:204589 - Urdamycin H

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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 Urdamycin H
ChEBI ID CHEBI:204589
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C50H60O18
Net Charge 0
Average Mass 949.012
Monoisotopic Mass 948.37797
InChI InChI=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
InChIKey NRRLTLDCIOYASW-DKSJQKFTSA-N
SMILES O=C1C2=C(O)C(=CC=3C2=C(OC3C4=CC=C(O)C=C4)C5=C1C=C[C@]6([C@]5(OC7OC(C(O)CC7)C)C(=O)C[C@@](O)(C)C6)O)C8OC(C(O)C(C8)OC9OC(C(OC%10OC(C(O)C(C%10)O)C)CC9)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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