| Properties | Image |
|---|
| MNX_ID | MNXM1175443 |
 |
| reference | envipathM:...1788c3ecdc1b |
| formula | C29H43O12 |
| global charge | -1 |
| mol weight | 583.651 |
| InChIKey | WCHZAGFMWSGZOH-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H44O12/c1-26-5-3-15(40-23-9-18(32)25(37)20(13-31)41-23)10-28(26,38)11-19(33)24-17(26)8-21(34)27(2)16(4-6-29(24,27)39)14(12-30)7-22(35)36/h7,15-21,23-24,30-34,38-39H,3-6,8-13H2,1-2H3,(H,35,36)/p-1 |
| SMILES | CC12CCC(OC3CC(O)C(=O)C(CO)O3)CC1(O)CC(O)C1C2CC(O)C2(C)C(C(=CC(=O)[O-])CO)CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C29H44O12/c1-26-5-3-15(40-23-9-18(32)25(37)20(13-31)41-23)10-28(26,38)11-19(33)24-17(26)8-21(34)27(2)16(4-6-29(24,27)39)14(12-30)7-22(35)36/h7,15-21,23-24,30-34,38-39H,3-6,8-13H2,1-2H3,(H,35,36)/b14-7?/t15?,16?,17?,18?,19?,20?,21?,23?,24?,26?,27?,28?,29? |
 |
| SMILES (mnx) | [CH3:1][C:26]12[CH2:5][CH2:3][CH:15]([O:40][CH:23]3[CH2:9][CH:18]([OH:32])[C:25](=[O:37])[CH:20]([CH2:13][OH:31])[O:41]3)[CH2:10][C:28]1([OH:38])[CH2:11][CH:19]([OH:33])[CH:24]1[CH:17]2[CH2:8][CH:21]([OH:34])[C:27]2([CH3:2])[CH:16]([C:14](=[CH:7][C:22](=[O:35])[OH:36])[CH2:12][OH:30])[CH2:4][CH2:6][C:29]12[OH:39] |
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