Summary
SMILES: OCC1OC(Oc2ccc3c(c2)OC(=Cc2ccc(c(c2)OC2OC(CO)C(C(C2O)O)O)O)C3=O)C(C(C1O)O)OInChI: InChI=1S/C27H30O15/c28-8-17-20(32)22(34)24(36)26(41-17)38-11-2-3-12-14(7-11)39-16(19(12)31)6-10-1-4-13(30)15(5-10)40-27-25(37)23(35)21(33)18(9-29)42-27/h1-7,17-18,20-30,32-37H,8-9H2InChIKey: HXDMAFOJZRTAQK-UHFFFAOYSA-N
DeepSMILES: OCCOCOcccccc6)OC=Ccccccc6)OCOCCO))CCC6O))O))O)))))))O))))))C5=O))))))))))CCC6O))O))O
Scaffold Graph/Node/Bond level: O=C1C(=Cc2cccc(OC3CCCCO3)c2)Oc2cc(OC3CCCCO3)ccc21
Scaffold Graph/Node level: OC1C(CC2CCCC(OC3CCCCO3)C2)OC2CC(OC3CCCCO3)CCC21
Scaffold Graph level: CC1C(CC2CCCC(CC3CCCCC3)C2)CC2CC(CC3CCCCC3)CCC21
Functional groups: CO; cC=C1OccC1=O; cO; cOC(C)OC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: Flavonoid glycosides
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Aurones
Synonymous chemical names:palasitrin
External chemical identifiers:CID:42607742
Chemical structure download