CHEBI:227373 - Naphthablin

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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 Naphthablin
ChEBI ID CHEBI:227373
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H36O8
Net Charge 0
Average Mass 512.599
Monoisotopic Mass 512.24102
InChI InChI=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
InChIKey NPKRLSYRZGLPCT-UHFFFAOYSA-N
SMILES O=C1C=2OC(C3CC(OC(=O)C(C)C)C(CC3C2C(=O)C=4C1=C(O)C(=C(O)C4)C(C=C)(CO)C)C)(C)C
Metabolite of Species Details
Streptomyces aculeolatus (NCBI:txid270689) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
8068297 ChemSpider
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