CHEBI:179272 - Volubinol

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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 Volubinol
ChEBI ID CHEBI:179272
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H22O8
Net Charge 0
Average Mass 414.410
Monoisotopic Mass 414.13147
InChI InChI=1S/C22H22O8/c1-10(8-23)16-5-12-15(29-16)4-3-11-20(12)30-19-9-28-17-7-14(24)18(27-2)6-13(17)22(19,26)21(11)25/h3-4,6-7,10,16,19,23-24,26H,5,8-9H2,1-2H3
InChIKey DPDXNBBSGYDSMO-UHFFFAOYSA-N
SMILES O1C2C(O)(C(=O)C3=C1C=4CC(OC4C=C3)C(CO)C)C=5C(OC2)=CC(O)=C(OC)C5
ChEBI Ontology
Outgoing Volubinol (CHEBI:179272) is a rotenones (CHEBI:72581)
IUPAC Name
13,17-dihydroxy-6-(1-hydroxypropan-2-yl)-16-methoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
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24842954 ChemSpider
LMPK12060044 LIPID MAPS
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