| Properties | Image |
|---|
| MNX_ID | MNXM1185453 |
 |
| reference | envipathM:...ad6e43597ba7 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | HELFRSCBUMPCGP-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-18-34(48)26(43)14-31(52-18)56-36-20(3)54-32(16-28(36)45)57-35-19(2)53-30(15-27(35)44)55-23-8-10-39(4)22(13-23)6-7-25-33(39)37(49)58-38(50)40(5)24(9-11-41(25,40)51)21(17-42)12-29(46)47/h12,18-20,22-28,30-36,42-45,48,51H,6-11,13-17H2,1-5H3,(H,46,47)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5C(=O)OC(=O)C5(C)C(C(=CC(=O)[O-])CO)CCC65O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-34(48)26(43)14-31(52-18)56-36-20(3)54-32(16-28(36)45)57-35-19(2)53-30(15-27(35)44)55-23-8-10-39(4)22(13-23)6-7-25-33(39)37(49)58-38(50)40(5)24(9-11-41(25,40)51)21(17-42)12-29(46)47/h12,18-20,22-28,30-36,42-45,48,51H,6-11,13-17H2,1-5H3,(H,46,47)/b21-12?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:48])[CH:26]([OH:43])[CH2:14][CH:31]([O:56][CH:36]2[CH:20]([CH3:3])[O:54][CH:32]([O:57][CH:35]3[CH:19]([CH3:2])[O:53][CH:30]([O:55][CH:23]4[CH2:8][CH2:10][C:39]5([CH3:4])[CH:22]([CH2:6][CH2:7][CH:25]6[CH:33]5[C:37](=[O:49])[O:58][C:38](=[O:50])[C:40]5([CH3:5])[CH:24]([C:21](=[CH:12][C:29](=[O:46])[OH:47])[CH2:17][OH:42])[CH2:9][CH2:11][C:41]65[OH:51])[CH2:13]4)[CH2:15][CH:27]3[OH:44])[CH2:16][CH:28]2[OH:45])[O:52]1 |
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