type of chemical entity | Q113145171 |
7-[2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,5-diol | Q104957746 |
P233 | canonical SMILES | CC(=CCC1=C(C=C(C=C1O)C=CC2=CC3=C(C(=C2)O)OC4(CCC(C(C4C3)(C)C)O)C)O)C |
P683 | ChEBI ID | 66437 |
P592 | ChEMBL ID | CHEMBL223142 |
P661 | ChemSpider ID | 17273828 |
P234 | InChI | InChI=1S/C29H36O5/c1-17(2)6-9-21-22(30)13-19(14-23(21)31)8-7-18-12-20-16-25-28(3,4)26(33)10-11-29(25,5)34-27(20)24(32)15-18/h6-8,12-15,25-26,30-33H,9-11,16H2,1-5H3/b8-7+/t25-,26-,29-/m1/s1 |
P235 | InChIKey | CGJIPMVTBQUUQL-GEDZTWKOSA-N |
P2017 | isomeric SMILES | CC(=CCC1=C(C=C(C=C1O)/C=C/C2=CC3=C(C(=C2)O)O[C@@]4(CC[C@H](C([C@H]4C3)(C)C)O)C)O)C |
P662 | PubChem CID | 16116603 |
P1579 | Reaxys registry number | 11042130 |
P11089 | UniChem compound ID | 615297 |
P703 | found in taxon | Macaranga alnifolia | Q15357562 |
P2067 | mass | 464.256 |
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