| Properties | Image |
|---|
| MNX_ID | MNXM119715 |
 |
| reference | hmdb:HMDB0035491 |
| formula | C45H72O17 |
| global charge | 0 |
| mol weight | 885.054 |
| InChIKey | KDRHBRBDBYKMFS-UHFFFAOYSA-N |
| InChI | InChI=1S/C45H72O17/c1-18-9-12-45(55-17-18)19(2)30-28(62-45)14-25-23-8-7-22-13-27(26(47)15-44(22,6)24(23)10-11-43(25,30)5)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3 |
| SMILES | CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C |
MNX internals
| InChI (mnx) | InChI=1/C45H72O17/c1-18-9-12-45(55-17-18)19(2)30-28(62-45)14-25-23-8-7-22-13-27(26(47)15-44(22,6)24(23)10-11-43(25,30)5)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18?,19?,20?,21?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH2:9][CH2:12][C:45]2([CH:19]([CH3:2])[CH:30]3[CH:28]([CH2:14][CH:25]4[CH:23]5[CH2:8][CH:7]=[C:22]6[CH2:13][CH:27]([O:58][CH:42]7[CH:39]([O:61][CH:41]8[CH:36]([OH:53])[CH:34]([OH:51])[CH:32]([OH:49])[CH:21]([CH3:4])[O:57]8)[CH:37]([OH:54])[CH:38]([O:60][CH:40]8[CH:35]([OH:52])[CH:33]([OH:50])[CH:31]([OH:48])[CH:20]([CH3:3])[O:56]8)[CH:29]([CH2:16][OH:46])[O:59]7)[CH:26]([OH:47])[CH2:15][C:44]6([CH3:6])[CH:24]5[CH2:10][CH2:11][C:43]43[CH3:5])[O:62]2)[O:55][CH2:17]1 |
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