| Properties | Image |
|---|
| MNX_ID | MNXM1195734 |
 |
| reference | envipathM:...d8a0d38091e1 |
| formula | C18H29O12 |
| global charge | -1 |
| mol weight | 437.418 |
| InChIKey | YMYGNQRSAXAUFF-UHFFFAOYSA-M |
| InChI | InChI=1S/C18H30O12/c1-7-16(10(19)4-13(23)26-7)29-14-5-11(20)17(8(2)27-14)30-15(6-12(21)22)28-9(3)18(24)25/h7-12,14-17,19-22H,4-6H2,1-3H3,(H,24,25)/p-1 |
| SMILES | CC(OC(CC(O)O)OC1C(O)CC(OC2C(O)CC(=O)OC2C)OC1C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C18H30O12/c1-7-16(10(19)4-13(23)26-7)29-14-5-11(20)17(8(2)27-14)30-15(6-12(21)22)28-9(3)18(24)25/h7-12,14-17,19-22H,4-6H2,1-3H3,(H,24,25)/t7?,8?,9?,10?,11?,14?,15?,16?,17? |
 |
| SMILES (mnx) | [CH3:1][CH:7]1[CH:16]([O:29][CH:14]2[CH2:5][CH:11]([OH:20])[CH:17]([O:30][CH:15]([CH2:6][CH:12]([OH:21])[OH:22])[O:28][CH:9]([CH3:3])[C:18](=[O:24])[OH:25])[CH:8]([CH3:2])[O:27]2)[CH:10]([OH:19])[CH2:4][C:13](=[O:23])[O:26]1 |
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