EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:169867 - Lucidenic acid G
| Formula | C27H40O7 |
| Net Charge | 0 |
| Average Mass | 476.610 |
| Monoisotopic Mass | 476.27740 |
| SMILES | [H][C@@]12C[C@H](O)C3=C(C(=O)C[C@]4(C)[C@@]([H])([C@H](C)CCC(=O)O)C[C@H](O)[C@@]34C)[C@@]1(C)CCC(=O)[C@]2(C)CO |
| InChI | InChI=1S/C27H40O7/c1-14(6-7-21(33)34)15-10-20(32)27(5)23-16(29)11-18-24(2,9-8-19(31)25(18,3)13-28)22(23)17(30)12-26(15,27)4/h14-16,18,20,28-29,32H,6-13H2,1-5H3,(H,33,34)/t14-,15-,16+,18-,20+,24+,25-,26-,27+/m1/s1 |
| InChIKey | PWSMDKBWXADYJS-HPMFNFBQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Lucidenic acid G (CHEBI:169867) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (4R)-4-[(4S,5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 52085327 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:102607-21-6 | ChemIDplus |