| Properties | Image |
|---|
| MNX_ID | MNXM1193823 |
 |
| reference | envipathM:...ffbe546db8b5 |
| formula | C35H55O15 |
| global charge | -1 |
| mol weight | 715.81 |
| InChIKey | DFELMGVHUOOSFD-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H56O15/c1-15-29(44)21(37)10-28(47-15)50-30-16(2)48-27(11-22(30)38)49-18-7-17-5-6-19-20(32(17,3)24(40)8-18)9-25(41)33(4)31(23(39)12-35(19,33)46)34(45,14-36)13-26(42)43/h15-25,27-28,30-31,36-41,45-46H,5-14H2,1-4H3,(H,42,43)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CC(O)C4(C)C(CCC5C4CC(O)C4(C)C(C(O)(CO)CC(=O)[O-])C(O)CC54O)C3)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H56O15/c1-15-29(44)21(37)10-28(47-15)50-30-16(2)48-27(11-22(30)38)49-18-7-17-5-6-19-20(32(17,3)24(40)8-18)9-25(41)33(4)31(23(39)12-35(19,33)46)34(45,14-36)13-26(42)43/h15-25,27-28,30-31,36-41,45-46H,5-14H2,1-4H3,(H,42,43)/t15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,27?,28?,30?,31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:15]1[C:29](=[O:44])[CH:21]([OH:37])[CH2:10][CH:28]([O:50][CH:30]2[CH:16]([CH3:2])[O:48][CH:27]([O:49][CH:18]3[CH2:7][CH:17]4[CH2:5][CH2:6][CH:19]5[CH:20]([CH2:9][CH:25]([OH:41])[C:33]6([CH3:4])[CH:31]([C:34]([CH2:13][C:26](=[O:42])[OH:43])([CH2:14][OH:36])[OH:45])[CH:23]([OH:39])[CH2:12][C:35]56[OH:46])[C:32]4([CH3:3])[CH:24]([OH:40])[CH2:8]3)[CH2:11][CH:22]2[OH:38])[O:47]1 |
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