Oenothein B
| Type: | Other |
| PubChem: | 16129800 |
| DrugBank: | None |
| IUPAC: | 3,4,5-trihydroxybenzoic acid [4,5,6,12,20,21,22,25,26,30,31,32,38,46,47,48,51,52-octadecahydroxy-9,17,35,43,55,61-hexaoxo-64-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[35.15.6.514,27.111,15.03,8.018,23.029,34.040,57.044,49.050,54.024,60]tetrahexaconta-1(52),3,5,7,18,20,22,24,26,29,31,33,44,46,48,50,53,59-octadecaen-58-yl] ester |
| Standard InChI: | InChI=1S/C68H48O44/c69-21-1-13(2-22(70)37(21)77)59(91)109-55-53-32-12-102-62(94)17-9-29(43(83)47(87)35(17)34-16(63(95)107-53)6-26(74)40(80)46(34)86)103-51-19(7-27(75)41(81)49(51)89)65(97)112-58-56(110-60(92)14-3-23(71)38(78)24(72)4-14)54-31(105-68(58)100)11-101-61(93)15-5-25(73)39(79)45(85)33(15)36-18(64(96)108-54)10-30(44(84)48(36)88)104-52-20(8-28(76)42(82)50(52)90)66(98)111-57(55)67(99)106-32/h1-10,31-32,53-58,67-90,99-100H,11-12H2 |
| Standard InChIKey: | YSLFLCIPPPJEHH-UHFFFAOYSA-N |
| SMILES: | O=C(OC1C2OC(=O)C3=CC(O)=C(O)C(O)=C3OC3=CC4=C(C(O)=C3O)C3=C(C=C(O)C(O)=C3O)C(=O)OCC3OC(O)C(OC(=O)C5=CC(O)=C(O)C(O)=C5OC5=CC6=C(C(O)=C5O)C5=C(C=C(O)C(O)=C5O)C(=O)OC1C(COC6=O)OC2O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C3OC4=O)C1=CC(O)=C(O)C(O)=C1 |
| Metabolism-related information: | No data |
| Reference: | No data |
