Summary
SMILES: Oc1cc(O)c2c(c1)O[C@@H]([C@@H]([C@H]2c1c(O)cc(c2c1O[C@H](c1ccc(c(c1)O)O)[C@@H]([C@H]2c1c(O)cc(c2c1O[C@H](c1ccc(c(c1)O)O)[C@@H]([C@H]2c1c(O)cc(c2c1O[C@@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O)O)O)O)O)O)c1ccc(c(c1)O)OInChI: InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1InChIKey: QFLMUASKTWGRQE-JNIIMKSASA-N
DeepSMILES: OcccO)ccc6)O[C@@H][C@@H][C@H]6ccO)cccc6O[C@H]cccccc6)O))O)))))[C@@H][C@H]6ccO)cccc6O[C@H]cccccc6)O))O)))))[C@@H][C@H]6ccO)cccc6O[C@@H][C@@H]C6)O))cccccc6)O))O)))))))))O))))))O))))))O))))))O))))))O))))))O))cccccc6)O))O
Scaffold Graph/Node/Bond level: c1ccc(C2CC(c3cccc4c3OC(c3ccccc3)CC4c3cccc4c3OC(c3ccccc3)CC4c3cccc4c3OC(c3ccccc3)CC4)c3ccccc3O2)cc1
Scaffold Graph/Node level: C1CCC(C2CC(C3CCCC4C(C5CCCC6C(C7CCCC8CCC(C9CCCCC9)OC87)CC(C7CCCCC7)OC65)CC(C5CCCCC5)OC34)C3CCCCC3O2)CC1
Scaffold Graph level: C1CCC(C2CCC3CCCC(C4CC(C5CCCCC5)CC5C4CCCC5C4CC(C5CCCCC5)CC5C(C6CC(C7CCCCC7)CC7CCCCC76)CCCC54)C3C2)CC1
Functional groups: CO; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: Biflavonoids and polyflavonoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Proanthocyanins
Synonymous chemical names:procyanidin tetramer
External chemical identifiers:CID:16130899; ChEMBL:CHEMBL3409094; ChEBI:81227; SureChEMBL:SCHEMBL6861829
Chemical structure download
