CHEBI:208468 - 9'-deoxy-8',8'-dihydroxyherbicidin B

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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 9'-deoxy-8',8'-dihydroxyherbicidin B
ChEBI ID CHEBI:208468
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H23N5O9
Net Charge 0
Average Mass 453.408
Monoisotopic Mass 453.14958
InChI InChI=1S/C18H23N5O9/c1-28-12-11-7(31-15(12)23-6-22-10-13(19)20-5-21-14(10)23)3-9-18(27,32-11)17(25,26)4-8(30-9)16(24)29-2/h5-9,11-12,15,25-27H,3-4H2,1-2H3,(H2,19,20,21)/t7-,8+,9-,11+,12-,15-,18-/m1/s1
InChIKey AZYCCECPGKXFKD-WZBVYVGFSA-N
SMILES O=C(OC)[C@H]1O[C@H]2[C@](O[C@@H]3[C@@H](OC)[C@@H](O[C@@H]3C2)N4C5=NC=NC(=C5N=C4)N)(O)C(C1)(O)O
Metabolite of Species Details
Streptomycesspecies L-9-10 (NCBI:txid1478131) See: PubMed
ChEBI Ontology
Outgoing 9'-deoxy-8',8'-dihydroxyherbicidin B (CHEBI:208468) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name
methyl (1R,3S,4R,5R,7R,9R,11S)-5-(6-aminopurin-9-yl)-1,13,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
Manual Xref Database
31130439 ChemSpider
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