| Code/trivial name a | IUPAC name/SMILES notation/InChiKey b | Structural formula c |
|---|---|---|
| Heptamaloxyloglucan |
α‐l‐fucopyranosyl‐(1 → 2)‐β‐d‐galactopyranosyl‐(1 → 2)‐α‐d‐xylopyranosyl‐(1 → 6)‐[α‐d‐xylopyranosyl‐(1 → 6)‐β‐d‐glucopyranosyl‐(1 → 4)]‐β‐d‐glucopyranosyl‐(1 → 4)‐d‐glucitol OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O[C@@H]2O[C@H](CO[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO RAUODYOTTYNEJP‐WTQIIJSDSA‐N |
|
| Patulin |
4‐hydroxy‐4H‐furo[3,2‐c]pyran‐2(6H)‐one O=C1C=C2C(=CCOC2O)O1 ZRWPUFFVAOMMNM‐UHFFFAOYSA‐N |
|
| Glucose |
d‐glucose O[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO GZCGUPFRVQAUEE‐SLPGGIOYSA‐N |
|
| Fucose |
6‐deoxy‐l‐galactose O[C@@H](C)[C@@H](O)[C@@H](O)[C@H](O)C=O PNNNRSAQSRJVSB‐KCDKBNATSA‐N |
|
| Xylose |
d‐xylose O[C@@H](C=O)[C@@H](O)[C@H](O)CO PYMYPHUHKUWMLA‐VPENINKCSA‐N l‐xylose O[C@H](C=O)[C@H](O)[C@@H](O)CO PYMYPHUHKUWMLA‐WISUUJSJSA‐N |
|
| Galactose |
d‐galactose O[C@H]([C@@H](O)C=O)[C@@H](O)[C@H](O)CO GZCGUPFRVQAUEE‐KCDKBNATSA‐N l‐galactose O[C@@H]([C@H](O)C=O)[C@H](O)[C@@H](O)CO GZCGUPFRVQAUEE‐DPYQTVNSSA‐N |
|
| d‐glucopyranose |
d‐glucopyranose O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1O WQZGKKKJIJFFOK‐GASJEMHNSA‐N |
|
| d‐glucitol |
d‐glucitol O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO FBPFZTCFMRRESA‐JGWLITMVSA‐N |
|
| d‐xylopyranose |
d‐xylopyranose O[C@H]1[C@H](O)COC(O)[C@@H]1O SRBFZHDQGSBBOR‐IOVATXLUSA‐N |
|
| d‐galactopyranose |
d‐galactopyranose O[C@H]1[C@@H](O)[C@@H](CO)OC(O)[C@@H]1O WQZGKKKJIJFFOK‐SVZMEOIVSA‐N |
|
| l‐fucopyranose |
6‐deoxy‐l‐galactopyranose O[C@@H]1[C@H](O)[C@H](C)OC(O)[C@H]1O SHZGCJCMOBCMKK‐DHVFOXMCSA‐N |
|
The metabolite name in bold is the name used in the conclusion.
ACD/Name 2020.2.1 ACD/Labs 2020 Release (File version N15E41, Build 116563, 15 June 2020).
ACD/ChemSketch 2020.2.1 ACD/Labs 2020 Release (File version C25H41, Build 121153, 22 March 2021).