| Properties | Image |
|---|
| MNX_ID | MNXM1171374 |
 |
| reference | envipathM:...c4e780ba5fc7 |
| formula | C35H51O14 |
| global charge | -1 |
| mol weight | 695.779 |
| InChIKey | XZLUEYQAFDOJJX-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H52O14/c1-16-30(43)23(38)13-28(46-16)49-31-17(2)47-27(14-24(31)39)48-20-5-6-32(3)18(9-20)10-22(37)29-21(32)12-25(40)33(4)34(44,7-8-35(29,33)45)19(15-36)11-26(41)42/h11,15-18,20-25,27-29,31,37-40,44-45H,5-10,12-14H2,1-4H3,(H,41,42)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)CC(O)C3C4CC(O)C4(C)C(O)(C(C=O)=CC(=O)[O-])CCC34O)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H52O14/c1-16-30(43)23(38)13-28(46-16)49-31-17(2)47-27(14-24(31)39)48-20-5-6-32(3)18(9-20)10-22(37)29-21(32)12-25(40)33(4)34(44,7-8-35(29,33)45)19(15-36)11-26(41)42/h11,15-18,20-25,27-29,31,37-40,44-45H,5-10,12-14H2,1-4H3,(H,41,42)/b19-11?/t16?,17?,18?,20?,21?,22?,23?,24?,25?,27?,28?,29?,31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:16]1[C:30](=[O:43])[CH:23]([OH:38])[CH2:13][CH:28]([O:49][CH:31]2[CH:17]([CH3:2])[O:47][CH:27]([O:48][CH:20]3[CH2:5][CH2:6][C:32]4([CH3:3])[CH:18]([CH2:9]3)[CH2:10][CH:22]([OH:37])[CH:29]3[CH:21]4[CH2:12][CH:25]([OH:40])[C:33]4([CH3:4])[C:34]([C:19](=[CH:11][C:26](=[O:41])[OH:42])[CH:15]=[O:36])([OH:44])[CH2:7][CH2:8][C:35]34[OH:45])[CH2:14][CH:24]2[OH:39])[O:46]1 |
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