| Properties | Image |
|---|
| MNX_ID | MNXM1173320 |
 |
| reference | envipathM:...c781b702dcc9 |
| formula | C35H53O15 |
| global charge | -1 |
| mol weight | 713.794 |
| InChIKey | ZVHFCXAMQOZEBJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H54O15/c1-15-30(50-28-14-24(38)32(44)48-16(2)47-28)23(37)13-27(46-15)49-18-5-7-33(3)17(9-18)10-22(36)29-21(33)12-25(39)34(4)20(6-8-35(29,34)45)19(31(42)43)11-26(40)41/h11,15-18,20-25,27-31,36-39,42-43,45H,5-10,12-14H2,1-4H3,(H,40,41)/p-1 |
| SMILES | CC1OC(=O)C(O)CC(OC2C(O)CC(OC3CCC4(C)C(C3)CC(O)C3C4CC(O)C4(C)C(C(=CC(=O)[O-])C(O)O)CCC34O)OC2C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C35H54O15/c1-15-30(50-28-14-24(38)32(44)48-16(2)47-28)23(37)13-27(46-15)49-18-5-7-33(3)17(9-18)10-22(36)29-21(33)12-25(39)34(4)20(6-8-35(29,34)45)19(31(42)43)11-26(40)41/h11,15-18,20-25,27-31,36-39,42-43,45H,5-10,12-14H2,1-4H3,(H,40,41)/b19-11?/t15?,16?,17?,18?,20?,21?,22?,23?,24?,25?,27?,28?,29?,30?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH:15]1[CH:30]([O:50][CH:28]2[CH2:14][CH:24]([OH:38])[C:32](=[O:44])[O:48][CH:16]([CH3:2])[O:47]2)[CH:23]([OH:37])[CH2:13][CH:27]([O:49][CH:18]2[CH2:5][CH2:7][C:33]3([CH3:3])[CH:17]([CH2:9]2)[CH2:10][CH:22]([OH:36])[CH:29]2[CH:21]3[CH2:12][CH:25]([OH:39])[C:34]3([CH3:4])[CH:20]([C:19](=[CH:11][C:26](=[O:40])[OH:41])[CH:31]([OH:42])[OH:43])[CH2:6][CH2:8][C:35]23[OH:45])[O:46]1 |
|