shikometabolin B
| Type: | Metabolite |
| PubChem: | 11757431 |
| DrugBank: | None |
| IUPAC: | 3,10,14,16,21-pentahydroxy-17-[(1R)-1-hydroxy-4-methylpent-3-enyl]-12-(3-methylbut-2-enyl)pentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1,3,6,9,11,13,15,17,20-nonaene-5,8,19-trione |
| Standard InChI: | InChI=1S/C32H28O9/c1-12(2)5-7-14-20-25(31(40)23-18(35)10-9-17(34)22(23)29(20)38)26-21(14)30(39)27-24(32(26)41)19(36)11-15(28(27)37)16(33)8-6-13(3)4/h5-6,9-11,16,33,37-41H,7-8H2,1-4H3/t16-/m1/s1 |
| Standard InChIKey: | CVPJREUJRCTYHX-MRXNPFEDSA-N |
| SMILES: | CC(C)=CCC1=C2C(O)=C3C(=O)C=CC(=O)C3=C(O)C2=C2C(O)=C3C(=O)C=C(C(O)CC=C(C)C)C(O)=C3C(O)=C12 |
