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CHEBI:227373 - Naphthablin

ChEBI IDCHEBI:227373
ChEBI NameNaphthablin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O8
Net Charge0
Average Mass512.599
Monoisotopic Mass512.24102
SMILESC=CC(C)(CO)c1c(O)cc2c(c1O)C(=O)C1=C(C2=O)C2CC(C)C(OC(=O)C(C)C)CC2C(C)(C)O1
InChIInChI=1S/C29H36O8/c1-8-29(7,12-30)22-18(31)10-16-20(24(22)33)25(34)26-21(23(16)32)15-9-14(4)19(36-27(35)13(2)3)11-17(15)28(5,6)37-26/h8,10,13-15,17,19,30-31,33H,1,9,11-12H2,2-7H3
InChIKeyNPKRLSYRZGLPCT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces aculeolatus (ncbitaxon:270689) - PubMed (7649855)
ChEBI Ontology
Outgoing Relation(s)
Naphthablin (CHEBI:227373) is a organic heterotricyclic compound (CHEBI:26979)
Naphthablin (CHEBI:227373) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[8,10-dihydroxy-9-(1-hydroxy-2-methylbut-3-en-2-yl)-2,5,5-trimethyl-7,12-dioxo-1,2,3,4,4a,12b-hexahydronaphtho[2,3-c]isochromen-3-yl] 2-methylpropanoate
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8068297ChemSpider