| Properties | Image |
|---|
| MNX_ID | MNXM1183178 |
 |
| reference | envipathM:...faef6361fa9a |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | ZHPAHKRETRWXHE-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-18-36(56-33-16-28(45)37(19(2)52-33)57-34-14-26(43)35(48)29(17-42)54-34)27(44)15-32(51-18)53-21-7-9-39(3)20(11-21)5-6-24-25(39)13-30(46)40(4)23(8-10-41(24,40)50)22-12-31(47)55-38(22)49/h12,18-21,23-30,32-34,36-38,42-46,49-50H,5-11,13-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(C6=CC(=O)OC6O)CCC54O)C3)OC2C)CC(O)C1OC1CC(O)C(=O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-18-36(56-33-16-28(45)37(19(2)52-33)57-34-14-26(43)35(48)29(17-42)54-34)27(44)15-32(51-18)53-21-7-9-39(3)20(11-21)5-6-24-25(39)13-30(46)40(4)23(8-10-41(24,40)50)22-12-31(47)55-38(22)49/h12,18-21,23-30,32-34,36-38,42-46,49-50H,5-11,13-17H2,1-4H3/t18?,19?,20?,21?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([O:56][CH:33]2[CH2:16][CH:28]([OH:45])[CH:37]([O:57][CH:34]3[CH2:14][CH:26]([OH:43])[C:35](=[O:48])[CH:29]([CH2:17][OH:42])[O:54]3)[CH:19]([CH3:2])[O:52]2)[CH:27]([OH:44])[CH2:15][CH:32]([O:53][CH:21]2[CH2:7][CH2:9][C:39]3([CH3:3])[CH:20]([CH2:5][CH2:6][CH:24]4[CH:25]3[CH2:13][CH:30]([OH:46])[C:40]3([CH3:4])[CH:23]([C:22]5=[CH:12][C:31](=[O:47])[O:55][CH:38]5[OH:49])[CH2:8][CH2:10][C:41]43[OH:50])[CH2:11]2)[O:51]1 |
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