| Properties | Image |
|---|
| MNX_ID | MNXM1171821 |
 |
| reference | envipathM:...cd6812e146be |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | FODBNIGIPZFKQF-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-34(49)23(43)12-31(53-17)58-35-18(2)54-32(13-24(35)44)59-36-25(45)14-33(56-26(36)16-42)55-20-9-19-5-6-27-40(51)8-7-22(21-11-30(48)57-37(21)50)39(40,4)29(47)15-41(27,52)38(19,3)28(46)10-20/h11,16-20,22-29,31-37,43-47,49-52H,5-10,12-15H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CCC6C5(O)CC(O)C5(C)C(C7=CC(=O)OC7O)CCC65O)C4)OC3C=O)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-34(49)23(43)12-31(53-17)58-35-18(2)54-32(13-24(35)44)59-36-25(45)14-33(56-26(36)16-42)55-20-9-19-5-6-27-40(51)8-7-22(21-11-30(48)57-37(21)50)39(40,4)29(47)15-41(27,52)38(19,3)28(46)10-20/h11,16-20,22-29,31-37,43-47,49-52H,5-10,12-15H2,1-4H3/t17?,18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:49])[CH:23]([OH:43])[CH2:12][CH:31]([O:58][CH:35]2[CH:18]([CH3:2])[O:54][CH:32]([O:59][CH:36]3[CH:25]([OH:45])[CH2:14][CH:33]([O:55][CH:20]4[CH2:9][CH:19]5[CH2:5][CH2:6][CH:27]6[C:40]7([OH:51])[CH2:8][CH2:7][CH:22]([C:21]8=[CH:11][C:30](=[O:48])[O:57][CH:37]8[OH:50])[C:39]7([CH3:4])[CH:29]([OH:47])[CH2:15][C:41]6([OH:52])[C:38]5([CH3:3])[CH:28]([OH:46])[CH2:10]4)[O:56][CH:26]3[CH:16]=[O:42])[CH2:13][CH:24]2[OH:44])[O:53]1 |
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