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CHEBI:211527 - Nitrosporeunol H

ChEBI IDCHEBI:211527
ChEBI NameNitrosporeunol H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H56O4
Net Charge0
Average Mass648.928
Monoisotopic Mass648.41786
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C1C2=C(C(=O)C=C(C)C2=O)C2=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)Oc3c(C)cc(O)c1c32
InChIInChI=1S/C44H56O4/c1-27(2)15-11-17-29(5)19-13-20-31(7)23-34-38-37(46)25-33(9)43-41(38)35(39-36(45)24-32(8)42(47)40(34)39)26-44(10,48-43)22-14-21-30(6)18-12-16-28(3)4/h15-16,19,21,23-26,34,46H,11-14,17-18,20,22H2,1-10H3/b29-19+,30-21+,31-23+/t34?,44-/m1/s1
InChIKeyVTXFCFMTGZPYMQ-VBQDAOOZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces nitrosporeus (ncbitaxon:28894) - PubMed (31195687)
ChEBI Ontology
Outgoing Relation(s)
Nitrosporeunol H (CHEBI:211527) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(15R)-15-[(3E)-4,8-dimethylnona-3,7-dienyl]-10-hydroxy-5,12,15-trimethyl-8-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]-14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),4,9,11,13(17)-hexaene-3,6-dione
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76117765ChemSpider