CHEBI:196332 - Neobanol

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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 Neobanol
ChEBI ID CHEBI:196332
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H12O6
Net Charge 0
Average Mass 324.288
Monoisotopic Mass 324.06339
InChI InChI=1S/C18H12O6/c19-18-7-21-13-5-12-9(1-2-20-12)3-10(13)17(18)24-14-6-16-15(4-11(14)18)22-8-23-16/h1-6,17,19H,7-8H2
InChIKey QVTNCCTYKIEOIS-UHFFFAOYSA-N
SMILES O1C2C(O)(C=3C1=CC=4OCOC4C3)COC5=C2C=C6C(OC=C6)=C5
ChEBI Ontology
Outgoing Neobanol (CHEBI:196332) is a pterocarpans (CHEBI:26377)
IUPAC Name
7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,5,8,14,16(20),21-heptaen-13-ol
Manual Xrefs Databases
24843037 ChemSpider
LMPK12070107 LIPID MAPS
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