Feedback
trans-o-Coumaric acid 2-glucoside
MNXM3104 is deprecated and here replaced by MNXM1369030
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1369030 |
 |
| reference | chebi:172552 |
| formula | C15H18O8 |
| global charge | 0 |
| mol weight | 326.301 |
| InChIKey | GVRIYIMNJGULCZ-AATRIKPKSA-N |
| InChI | InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+ |
| SMILES | O=C(O)/C=C/C1=C(OC2OC(CO)C(O)C(O)C2O)C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10?,12?,13?,14?,15? |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:9]([O:22][CH:15]2[CH:14]([OH:21])[CH:13]([OH:20])[CH:12]([OH:19])[CH:10]([CH2:7][OH:16])[O:23]2)[C:8](/[CH:5]=[CH:6]/[C:11](=[O:17])[OH:18])=[CH:3]1 |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:172552
chebi:172552
GVRIYIMNJGULCZ-AATRIKPKSA-N
| trans-o-Coumaric acid 2-glucoside
(E)-3-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
|
hmdb:HMDB0303353
GVRIYIMNJGULCZ-AATRIKPKSA-N
| cis-o-Coumaric acid 2-glucoside
(2E)-3-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate
(2E)-3-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
Melilotoside
cis-O-Coumarate 2-glucoside
melilotoside
trans-O-Coumarate 2-glucoside
|