| Properties | Image |
|---|
| MNX_ID | MNXM1193174 |
 |
| reference | envipathM:...b462cf71bf63 |
| formula | C35H55O15 |
| global charge | -1 |
| mol weight | 715.81 |
| InChIKey | DKUJGACIBRNSDH-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H56O15/c1-17-28(42)21(37)12-27(47-17)50-29-18(2)48-26(13-22(29)38)49-20-5-7-30(3)32(43,14-20)8-6-23-34(45)10-9-33(44,19(16-36)11-25(40)41)31(34,4)24(39)15-35(23,30)46/h11,17-18,20-24,26-29,36-39,42-46H,5-10,12-16H2,1-4H3,(H,40,41)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(O)(CCC5C4(O)CC(O)C4(C)C(O)(C(=CC(=O)[O-])CO)CCC54O)C3)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C35H56O15/c1-17-28(42)21(37)12-27(47-17)50-29-18(2)48-26(13-22(29)38)49-20-5-7-30(3)32(43,14-20)8-6-23-34(45)10-9-33(44,19(16-36)11-25(40)41)31(34,4)24(39)15-35(23,30)46/h11,17-18,20-24,26-29,36-39,42-46H,5-10,12-16H2,1-4H3,(H,40,41)/b19-11?/t17?,18?,20?,21?,22?,23?,24?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:28]([OH:42])[CH:21]([OH:37])[CH2:12][CH:27]([O:50][CH:29]2[CH:18]([CH3:2])[O:48][CH:26]([O:49][CH:20]3[CH2:5][CH2:7][C:30]4([CH3:3])[C:32]([OH:43])([CH2:8][CH2:6][CH:23]5[C:34]6([OH:45])[CH2:10][CH2:9][C:33]([C:19](=[CH:11][C:25](=[O:40])[OH:41])[CH2:16][OH:36])([OH:44])[C:31]6([CH3:4])[CH:24]([OH:39])[CH2:15][C:35]54[OH:46])[CH2:14]3)[CH2:13][CH:22]2[OH:38])[O:47]1 |
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