| Properties | Image |
|---|
| MNX_ID | MNXM1183688 |
 |
| reference | envipathM:...ef68a5d5c588 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | IUGYLQIVWHXKQZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-16-36(58-32-13-26(46)37(17(2)54-32)59-33-11-24(44)35(50)28(15-42)56-33)25(45)12-31(53-16)55-18-5-6-39(3)20-10-29(48)40(4)34(19-8-30(49)57-38(19)51)27(47)14-41(40,52)21(20)9-23(43)22(39)7-18/h8,16-18,20-29,31-34,36-38,42-48,51-52H,5-7,9-15H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)C(O)CC3C4CC(O)C4(C)C(C5=CC(=O)OC5O)C(O)CC34O)OC2C)CC(O)C1OC1CC(O)C(=O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-16-36(58-32-13-26(46)37(17(2)54-32)59-33-11-24(44)35(50)28(15-42)56-33)25(45)12-31(53-16)55-18-5-6-39(3)20-10-29(48)40(4)34(19-8-30(49)57-38(19)51)27(47)14-41(40,52)21(20)9-23(43)22(39)7-18/h8,16-18,20-29,31-34,36-38,42-48,51-52H,5-7,9-15H2,1-4H3/t16?,17?,18?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:16]1[CH:36]([O:58][CH:32]2[CH2:13][CH:26]([OH:46])[CH:37]([O:59][CH:33]3[CH2:11][CH:24]([OH:44])[C:35](=[O:50])[CH:28]([CH2:15][OH:42])[O:56]3)[CH:17]([CH3:2])[O:54]2)[CH:25]([OH:45])[CH2:12][CH:31]([O:55][CH:18]2[CH2:5][CH2:6][C:39]3([CH3:3])[CH:20]4[CH2:10][CH:29]([OH:48])[C:40]5([CH3:4])[CH:34]([C:19]6=[CH:8][C:30](=[O:49])[O:57][CH:38]6[OH:51])[CH:27]([OH:47])[CH2:14][C:41]5([OH:52])[CH:21]4[CH2:9][CH:23]([OH:43])[CH:22]3[CH2:7]2)[O:53]1 |
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