Summary
SMILES: COc1cc(ccc1O)[C@H]1Oc2c(O[C@@H]1COC(=O)C)c(OC)cc1c2oc(=O)cc1InChI: InChI=1S/C22H20O9/c1-11(23)28-10-17-19(12-4-6-14(24)15(8-12)26-2)31-22-20-13(5-7-18(25)30-20)9-16(27-3)21(22)29-17/h4-9,17,19,24H,10H2,1-3H3/t17-,19-/m1/s1InChIKey: OPHOIUCADFRJAM-IEBWSBKVSA-N
DeepSMILES: COcccccc6O))))[C@H]OccO[C@@H]6COC=O)C))))))cOC))ccc6oc=O)cc6
Scaffold Graph/Node/Bond level: O=c1ccc2ccc3c(c2o1)OC(c1ccccc1)CO3
Scaffold Graph/Node level: OC1CCC2CCC3OCC(C4CCCCC4)OC3C2O1
Scaffold Graph level: CC1CCC2CCC3CCC(C4CCCCC4)CC3C2C1
Functional groups: COC(C)=O; c=O; cO; cOC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lignans, neolignans and related compoundsClassyFire Class: Coumarinolignans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Coumarins|Lignans
NP Classifier Class: Coumarinolignans
Synonymous chemical names:hyosgerin
External chemical identifiers:CID:11546423; ZINC:ZINC000013400426
Chemical structure download