| Properties | Image |
|---|
| MNX_ID | MNXM1192851 |
 |
| reference | envipathM:...a305a55dc09c |
| formula | C35H55O13 |
| global charge | -1 |
| mol weight | 683.812 |
| InChIKey | AVIVSWBMIGEQOU-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H56O13/c1-16-31(43)24(37)13-30(45-16)48-32-17(2)46-29(14-25(32)38)47-20-10-19-5-6-22-23(33(19,3)26(39)11-20)12-27(40)34(4)21(7-8-35(22,34)44)18(15-36)9-28(41)42/h9,16-17,19-27,29-32,36-40,43-44H,5-8,10-15H2,1-4H3,(H,41,42)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CC(O)C4(C)C(CCC5C4CC(O)C4(C)C(C(=CC(=O)[O-])CO)CCC54O)C3)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C35H56O13/c1-16-31(43)24(37)13-30(45-16)48-32-17(2)46-29(14-25(32)38)47-20-10-19-5-6-22-23(33(19,3)26(39)11-20)12-27(40)34(4)21(7-8-35(22,34)44)18(15-36)9-28(41)42/h9,16-17,19-27,29-32,36-40,43-44H,5-8,10-15H2,1-4H3,(H,41,42)/b18-9?/t16?,17?,19?,20?,21?,22?,23?,24?,25?,26?,27?,29?,30?,31?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH:16]1[CH:31]([OH:43])[CH:24]([OH:37])[CH2:13][CH:30]([O:48][CH:32]2[CH:17]([CH3:2])[O:46][CH:29]([O:47][CH:20]3[CH2:10][CH:19]4[CH2:5][CH2:6][CH:22]5[CH:23]([CH2:12][CH:27]([OH:40])[C:34]6([CH3:4])[CH:21]([C:18](=[CH:9][C:28](=[O:41])[OH:42])[CH2:15][OH:36])[CH2:7][CH2:8][C:35]56[OH:44])[C:33]4([CH3:3])[CH:26]([OH:39])[CH2:11]3)[CH2:14][CH:25]2[OH:38])[O:45]1 |
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