CHEBI:212623 - Napyradiomycin B1

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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 B1
ChEBI ID CHEBI:212623
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H31Cl3O5
Net Charge 0
Average Mass 529.880
Monoisotopic Mass 528.12371
InChI InChI=1S/C26H31Cl3O5/c1-12-7-8-17(27)23(3,4)15(12)10-26-21(32)14-9-16(30)13(2)20(31)19(14)22(33)25(26,29)11-18(28)24(5,6)34-26/h9,15,17-18,30-31H,1,7-8,10-11H2,2-6H3/t15-,17+,18-,25+,26+/m1/s1
InChIKey JCIYFFNGTHMEDE-QBNJFISTSA-N
SMILES Cl[C@@]12C(=O)C3=C(O)C(=C(O)C=C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)C[C@@H]4C(=C)CC[C@@H](C4(C)C)Cl)=O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Napyradiomycin B1 (CHEBI:212623) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin B1 (CHEBI:212623) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,4aR,10aS)-3,4a-dichloro-10a-[[(1R,3S)-3-chloro-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-6,8-dihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Manual Xref Database
24717124 ChemSpider
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