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CHEBI:202091 - Diapolycopenedioic acid xylosyl ester C
| Formula | C51H74O9 |
| Net Charge | 0 |
| Average Mass | 831.144 |
| Monoisotopic Mass | 830.53328 |
| SMILES | CC(/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)C(=O)O[C@@H]1OC[C@@H](O)[C@@H](O)C1OC(=O)CCCCCCCCCCCCC(C)C |
| InChI | InChI=1S/C51H74O9/c1-38(2)25-17-15-13-11-9-10-12-14-16-18-36-46(53)59-48-47(54)45(52)37-58-51(48)60-50(57)44(8)35-24-33-42(6)31-22-29-40(4)27-20-19-26-39(3)28-21-30-41(5)32-23-34-43(7)49(55)56/h19-24,26-35,38,45,47-48,51-52,54H,9-18,25,36-37H2,1-8H3,(H,55,56)/b20-19+,28-21+,29-22+,32-23+,33-24+,39-26+,40-27+,41-30+,42-31+,43-34+,44-35+/t45-,47-,48?,51+/m1/s1 |
| InChIKey | YVAXHWBPVRRIEV-FFWVIVMMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rubritalea squalenifaciens (ncbitaxon:407226) | - | PubMed (18503197) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Diapolycopenedioic acid xylosyl ester C (CHEBI:202091) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-24-[(2S,4R,5R)-4,5-dihydroxy-3-(14-methylpentadecanoyloxy)oxan-2-yl]oxy-2,6,10,15,19,23-hexamethyl-24-oxotetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78436812 | ChemSpider |