| Properties | Image |
|---|
| MNX_ID | MNXM1196905 |
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| reference | envipathM:...05d56ba3c304 |
| formula | C35H51O14 |
| global charge | -1 |
| mol weight | 695.779 |
| InChIKey | OSYOKJOWRYILER-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H52O14/c1-17-30(49-29-15-27(41)48-31(42)18(2)46-29)24(37)14-28(45-17)47-21-7-8-32(3)19(11-21)5-6-22-23(32)13-25(38)33(4)34(43,9-10-35(22,33)44)20(16-36)12-26(39)40/h12,17-19,21-23,25,27-30,36,38,41,43-44H,5-11,13-16H2,1-4H3,(H,39,40)/p-1 |
| SMILES | CC1OC(OC2C(=O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(O)(C(=CC(=O)[O-])CO)CCC54O)C3)OC2C)CC(O)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H52O14/c1-17-30(49-29-15-27(41)48-31(42)18(2)46-29)24(37)14-28(45-17)47-21-7-8-32(3)19(11-21)5-6-22-23(32)13-25(38)33(4)34(43,9-10-35(22,33)44)20(16-36)12-26(39)40/h12,17-19,21-23,25,27-30,36,38,41,43-44H,5-11,13-16H2,1-4H3,(H,39,40)/b20-12?/t17?,18?,19?,21?,22?,23?,25?,27?,28?,29?,30?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:30]([O:49][CH:29]2[CH2:15][CH:27]([OH:41])[O:48][C:31](=[O:42])[CH:18]([CH3:2])[O:46]2)[C:24](=[O:37])[CH2:14][CH:28]([O:47][CH:21]2[CH2:7][CH2:8][C:32]3([CH3:3])[CH:19]([CH2:5][CH2:6][CH:22]4[CH:23]3[CH2:13][CH:25]([OH:38])[C:33]3([CH3:4])[C:34]([C:20](=[CH:12][C:26](=[O:39])[OH:40])[CH2:16][OH:36])([OH:43])[CH2:9][CH2:10][C:35]43[OH:44])[CH2:11]2)[O:45]1 |
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