CHEBI:176215 - Neoannonin 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 Neoannonin B
ChEBI ID CHEBI:176215
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H66O6
Net Charge 0
Average Mass 606.929
Monoisotopic Mass 606.48594
InChI InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3
InChIKey SOAPDULPHQDKCM-UHFFFAOYSA-N
SMILES O1C(C2OC(CC2)C(O)CCCCCCCCCCCC)CCC1C(O)CCCCCCCCCCC3=CC(OC3=O)C
ChEBI Ontology
Outgoing Neoannonin B (CHEBI:176215) is a polyketide (CHEBI:26188)
IUPAC Name
4-[11-hydroxy-11-[5-[5-(1-hydroxytridecyl)oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-uran-5-one
Manual Xrefs Databases
35014375 ChemSpider
HMDB0037117 HMDB
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