| Properties | Image |
|---|
| MNX_ID | MNXM1195486 |
 |
| reference | envipathM:...976105f585a3 |
| formula | C35H52O14 |
| global charge | -2 |
| mol weight | 696.787 |
| InChIKey | GIVBOBOTSZLYDQ-UHFFFAOYSA-L |
| InChI | InChI=1S/C35H54O14/c1-17-30(49-32(26(39)16-37)47-18(2)31(43)44)25(38)14-29(46-17)48-21-7-9-33(3)20(12-21)5-6-23-24(33)13-27(40)34(4)22(8-10-35(23,34)45)19(15-36)11-28(41)42/h11,16-18,20-27,29-30,32,36,38-40,45H,5-10,12-15H2,1-4H3,(H,41,42)(H,43,44)/p-2 |
| SMILES | CC(OC(OC1C(O)CC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(C(=CC(=O)[O-])CO)CCC43O)C2)OC1C)C(O)C=O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C35H54O14/c1-17-30(49-32(26(39)16-37)47-18(2)31(43)44)25(38)14-29(46-17)48-21-7-9-33(3)20(12-21)5-6-23-24(33)13-27(40)34(4)22(8-10-35(23,34)45)19(15-36)11-28(41)42/h11,16-18,20-27,29-30,32,36,38-40,45H,5-10,12-15H2,1-4H3,(H,41,42)(H,43,44)/b19-11?/t17?,18?,20?,21?,22?,23?,24?,25?,26?,27?,29?,30?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:30]([O:49][CH:32]([CH:26]([CH:16]=[O:37])[OH:39])[O:47][CH:18]([CH3:2])[C:31](=[O:43])[OH:44])[CH:25]([OH:38])[CH2:14][CH:29]([O:48][CH:21]2[CH2:7][CH2:9][C:33]3([CH3:3])[CH:20]([CH2:5][CH2:6][CH:23]4[CH:24]3[CH2:13][CH:27]([OH:40])[C:34]3([CH3:4])[CH:22]([C:19](=[CH:11][C:28](=[O:41])[OH:42])[CH2:15][OH:36])[CH2:8][CH2:10][C:35]43[OH:45])[CH2:12]2)[O:46]1 |
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