CHEBI:176182 - Squamocin B

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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 Squamocin B
ChEBI ID CHEBI:176182
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C35H62O7
Net Charge 0
Average Mass 594.874
Monoisotopic Mass 594.44955
InChI InChI=1S/C35H62O7/c1-3-4-5-13-17-28(36)18-15-20-30(38)32-22-24-34(42-32)33-23-21-31(41-33)29(37)19-14-11-9-7-6-8-10-12-16-27-25-26(2)40-35(27)39/h25-26,28-34,36-38H,3-24H2,1-2H3
InChIKey XJTBKNFACRAPEK-UHFFFAOYSA-N
SMILES O1C(C2OC(CC2)C(O)CCCCCCCCCCC3=CC(OC3=O)C)CCC1C(O)CCCC(O)CCCCCC
ChEBI Ontology
Outgoing Squamocin B (CHEBI:176182) is a polyketide (CHEBI:26188)
IUPAC Name
4-[11-[5-[5-(1,5-dihydroxyundecyl)oxolan-2-yl]oxolan-2-yl]-11-hydroxyundecyl]-2-methyl-2H-uran-5-one
Manual Xrefs Databases
8802686 ChemSpider
HMDB0031393 HMDB
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