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CHEBI:206840 - Naphthablin B

ChEBI IDCHEBI:206840
ChEBI NameNaphthablin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O9
Net Charge0
Average Mass540.609
Monoisotopic Mass540.23593
SMILESCCC(C)C(=O)O[C@H]1C[C@H]2[C@@H](C[C@H]1C)C1=C(OC2(C)C)C(=O)c2c(cc(O)c3c2O[C@@H]2[C@@H](O)OC[C@]32C)C1=O
InChIInChI=1S/C30H36O9/c1-7-12(2)27(34)37-18-10-16-14(8-13(18)3)19-22(32)15-9-17(31)21-24(38-26-28(35)36-11-30(21,26)6)20(15)23(33)25(19)39-29(16,4)5/h9,12-14,16,18,26,28,31,35H,7-8,10-11H2,1-6H3/t12?,13-,14-,16+,18+,26-,28+,30-/m1/s1
InChIKeyUPHIIVNBHULWGI-ZYHGXCDASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28128950)
ChEBI Ontology
Outgoing Relation(s)
Naphthablin B (CHEBI:206840) is a organic heterotricyclic compound (CHEBI:26979)
Naphthablin B (CHEBI:206840) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(4R,6R,7S,9S,17S,18S,21S)-18,23-dihydroxy-6,10,10,21-tetramethyl-2,13-dioxo-11,16,19-trioxahexacyclo[12.10.0.03,12.04,9.015,22.017,21]tetracosa-1(24),3(12),14,22-tetraen-7-yl] 2-methylbutanoate
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