WormBase Tree Display for Molecule: WBMol:00002955
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| WBMol:00002955 | Public_name | reserpine | ||||
|---|---|---|---|---|---|---|
| Formula | C33H40N2O9 | |||||
| Monoisotopic_mass | 608.273 | |||||
| IUPAC | methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate | |||||
| SMILES | [H][C@]12C[C@@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2 | |||||
| InChi | InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 | |||||
| InChiKey | QEVHRUUCFGRFIF-MDEJGZGSSA-N | |||||
| Synonym | Reserpine | |||||
| DB_info | Database | NLM_MeSH | UID | D012110 | ||
| CTD | ChemicalID | D012110 | ||||
| ChEBI | CHEBI_ID | 28487 | ||||
| ChemIDplus | RN | 50-55-5 | ||||
| KEGG COMPOUND | Accession_number | C06539 | ||||
| Affects_phenotype_of | Variation (37) | |||||
| Strain | WBStrain00000001 | WBPhenotype:0000061 | Paper_evidence | WBPaper00031694 | ||
| Curator_confirmed | WBPerson712 | |||||
| Disease_info | Modifies_disease | DOID:10652 | ||||
| Disease_model_modifier | WBDOannot00000407 | |||||
| WBDOannot00000408 | ||||||
| Molecule_use | antipsychotic and antihypertensive drug in humans | |||||
| Reference | WBPaper00040570 | |||||
| WBPaper00031694 |
