| Properties | Image |
|---|
| MNX_ID | MNXM1189752 |
 |
| reference | envipathM:...57f16cac6dea |
| formula | C28H49O12 |
| global charge | -1 |
| mol weight | 577.688 |
| InChIKey | VEDRVWZSAUBITI-MAXWIFQJSA-M |
| InChI | InChI=1S/C28H50O12/c1-10-18(29)28(9,38)23(32)14(3)20(30)13(2)11-26(7,36)22(31)15(4)21(16(5)25(34)35)40-19-12-27(8,37)24(33)17(6)39-19/h13-19,21,23-24,29,32-33,36-38H,10-12H2,1-9H3,(H,34,35)/p-1/t13-,14+,15+,16-,17+,18-,19+,21+,23-,24+,26-,27-,28-/m1/s1 |
| SMILES | CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)C(=O)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(O)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C28H50O12/c1-10-18(29)28(9,38)23(32)14(3)20(30)13(2)11-26(7,36)22(31)15(4)21(16(5)25(34)35)40-19-12-27(8,37)24(33)17(6)39-19/h13-19,21,23-24,29,32-33,36-38H,10-12H2,1-9H3,(H,34,35)/t13-,14+,15+,16-,17+,18-,19+,21+,23-,24+,26-,27-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:10][C@H:18]([C@:28]([CH3:9])([C@@H:23]([C@@H:14]([CH3:3])[C:20]([C@H:13]([CH3:2])[CH2:11][C@:26]([CH3:7])([C:22]([C@@H:15]([CH3:4])[C@@H:21]([C@@H:16]([CH3:5])[C:25](=[O:34])[OH:35])[O:40][C@H:19]1[CH2:12][C@@:27]([CH3:8])([OH:37])[C@@H:24]([OH:33])[C@H:17]([CH3:6])[O:39]1)=[O:31])[OH:36])=[O:30])[OH:32])[OH:38])[OH:29] |
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