| Properties | Image |
|---|
| MNX_ID | MNXM1190151 |
 |
| reference | envipathM:...f88a4ed1c5f3 |
| formula | C18H29O12 |
| global charge | -1 |
| mol weight | 437.418 |
| InChIKey | DRGZTMHADUJIRO-UHFFFAOYSA-M |
| InChI | InChI=1S/C18H30O12/c1-7-16(26)9(20)4-14(27-7)29-17-8(2)28-15(5-11(17)22)30-18(12(23)6-19)10(21)3-13(24)25/h7-12,14-15,17-23H,3-6H2,1-2H3,(H,24,25)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC(C(O)CO)C(O)CC(=O)[O-])OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C18H30O12/c1-7-16(26)9(20)4-14(27-7)29-17-8(2)28-15(5-11(17)22)30-18(12(23)6-19)10(21)3-13(24)25/h7-12,14-15,17-23H,3-6H2,1-2H3,(H,24,25)/t7?,8?,9?,10?,11?,12?,14?,15?,17?,18? |
 |
| SMILES (mnx) | [CH3:1][CH:7]1[C:16](=[O:26])[CH:9]([OH:20])[CH2:4][CH:14]([O:29][CH:17]2[CH:8]([CH3:2])[O:28][CH:15]([O:30][CH:18]([CH:10]([CH2:3][C:13](=[O:24])[OH:25])[OH:21])[CH:12]([CH2:6][OH:19])[OH:23])[CH2:5][CH:11]2[OH:22])[O:27]1 |
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