CHEBI:221229 - 3"-hydroxy-7-methylnapyradiomycin B2

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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 3"-hydroxy-7-methylnapyradiomycin B2
ChEBI ID CHEBI:221229
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32Cl2O6
Net Charge 0
Average Mass 511.440
Monoisotopic Mass 510.15759
InChI InChI=1S/C26H32Cl2O6/c1-12-15(29)9-13-19(20(12)30)21(31)14-10-18(28)24(4,5)34-26(14,22(13)32)11-16-23(2,3)17(27)7-8-25(16,6)33/h9-10,16-18,29-30,33H,7-8,11H2,1-6H3/t16?,17-,18+,25-,26+/m0/s1
InChIKey WDLIKJQSDJDSIK-ZAGGJJGYSA-N
SMILES Cl[C@@H]1C=C2C(=O)C3=C(O)C(=C(O)C=C3C([C@]2(CC4[C@@](O)(CC[C@@H](C4(C)C)Cl)C)OC1(C)C)=O)C
Metabolite of Species Details
Streptomycesspecies CNQ-525 (NCBI:txid418855) See: PubMed
ChEBI Ontology
Outgoing 3"-hydroxy-7-methylnapyradiomycin B2 (CHEBI:221229) is a organic heterotricyclic compound (CHEBI:26979)
3"-hydroxy-7-methylnapyradiomycin B2 (CHEBI:221229) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,10aR)-3-chloro-10a-[[(3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2,7-trimethyl-3H-benzo[g]chromene-5,10-dione