| Properties | Image |
|---|
| MNX_ID | MNXM129818 |
 |
| reference | hmdb:HMDB0040744 |
| formula | C39H62O13 |
| global charge | 0 |
| mol weight | 738.912 |
| InChIKey | DMRIOWKDQLGGAP-UHFFFAOYSA-N |
| InChI | InChI=1S/C39H62O13/c1-17-6-9-27(50-35(17)52-36-33(46)31(44)29(42)19(3)48-36)18(2)22-7-8-23-21-15-26(41)25-14-20(10-12-39(25,5)24(21)11-13-38(22,23)4)49-37-34(47)32(45)30(43)28(16-40)51-37/h15,17-20,22-25,27-37,40,42-47H,6-14,16H2,1-5H3 |
| SMILES | CC1CCC(C(C)C2CCC3C4=CC(=O)C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC32C)OC1OC1OC(C)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C39H62O13/c1-17-6-9-27(50-35(17)52-36-33(46)31(44)29(42)19(3)48-36)18(2)22-7-8-23-21-15-26(41)25-14-20(10-12-39(25,5)24(21)11-13-38(22,23)4)49-37-34(47)32(45)30(43)28(16-40)51-37/h15,17-20,22-25,27-37,40,42-47H,6-14,16H2,1-5H3/t17?,18?,19?,20?,22?,23?,24?,25?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH2:6][CH2:9][CH:27]([CH:18]([CH3:2])[CH:22]2[CH2:7][CH2:8][CH:23]3[C:21]4=[CH:15][C:26](=[O:41])[CH:25]5[CH2:14][CH:20]([O:49][CH:37]6[CH:34]([OH:47])[CH:32]([OH:45])[CH:30]([OH:43])[CH:28]([CH2:16][OH:40])[O:51]6)[CH2:10][CH2:12][C:39]5([CH3:5])[CH:24]4[CH2:11][CH2:13][C:38]23[CH3:4])[O:50][CH:35]1[O:52][CH:36]1[CH:33]([OH:46])[CH:31]([OH:44])[CH:29]([OH:42])[CH:19]([CH3:3])[O:48]1 |
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