CHEBI:202245 - Napyradiomycin 2

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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 Napyradiomycin 2
ChEBI ID CHEBI:202245
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O7
Net Charge 0
Average Mass 440.492
Monoisotopic Mass 440.18350
InChI InChI=1S/C25H28O7/c1-13-5-4-6-14(12-26)9-15-18(27)10-16-20(21(15)29)22(30)17-11-19(28)24(2,3)32-25(17,8-7-13)23(16)31/h6-7,10-11,19,26-29H,4-5,8-9,12H2,1-3H3/b13-7-,14-6+/t19-,25+/m0/s1
InChIKey BKEDHHFOCFGVBQ-QVWGALEVSA-N
SMILES O=C1C2=C(O)C3=C(O)C=C2C(=O)[C@]4(C1=C[C@H](O)C(C)(C)O4)CC=C(CCC=C(C3)CO)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Napyradiomycin 2 (CHEBI:202245) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin 2 (CHEBI:202245) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,3Z,7E,18S)-11,18,22-trihydroxy-8-(hydroxymethyl)-4,19,19-trimethyl-20-oxatetracyclo[11.7.1.110,14.01,16]docosa-3,7,10,12,14(22),16-hexaene-15,21-dione
Manual Xref Database
78436841 ChemSpider
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