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CHEBI:179272 - Volubinol

ChEBI IDCHEBI:179272
ChEBI NameVolubinol
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FormulaC22H22O8
Net Charge0
Average Mass414.410
Monoisotopic Mass414.13147
SMILESCOc1cc2c(cc1O)OCC1Oc3c(ccc4c3CC(C(C)CO)O4)C(=O)C21O
InChIInChI=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
InChIKeyDPDXNBBSGYDSMO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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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