| Properties | Image |
|---|
| MNX_ID | MNXM1179225 |
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| reference | envipathM:...63e782e979cc |
| formula | C41H65O17 |
| global charge | -1 |
| mol weight | 829.954 |
| InChIKey | JSADSSNCFKDLSH-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O17/c1-18-35(50)26(44)13-33(53-18)57-37-20(3)55-34(15-28(37)46)58-36-19(2)54-32(14-27(36)45)56-21-6-8-38(4)22-12-30(47)39(5)29(40(51,17-42)16-31(48)49)7-9-41(39,52)23(22)11-25(43)24(38)10-21/h18-29,32-37,42-46,50-52H,6-17H2,1-5H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5CC(=O)C5(C)C(C(O)(CO)CC(=O)[O-])CCC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-18-35(50)26(44)13-33(53-18)57-37-20(3)55-34(15-28(37)46)58-36-19(2)54-32(14-27(36)45)56-21-6-8-38(4)22-12-30(47)39(5)29(40(51,17-42)16-31(48)49)7-9-41(39,52)23(22)11-25(43)24(38)10-21/h18-29,32-37,42-46,50-52H,6-17H2,1-5H3,(H,48,49)/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:50])[CH:26]([OH:44])[CH2:13][CH:33]([O:57][CH:37]2[CH:20]([CH3:3])[O:55][CH:34]([O:58][CH:36]3[CH:19]([CH3:2])[O:54][CH:32]([O:56][CH:21]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:22]6[CH2:12][C:30](=[O:47])[C:39]7([CH3:5])[CH:29]([C:40]([CH2:16][C:31](=[O:48])[OH:49])([CH2:17][OH:42])[OH:51])[CH2:7][CH2:9][C:41]7([OH:52])[CH:23]6[CH2:11][CH:25]([OH:43])[CH:24]5[CH2:10]4)[CH2:14][CH:27]3[OH:45])[CH2:15][CH:28]2[OH:46])[O:53]1 |
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