| Properties | Image |
|---|
| MNX_ID | MNXM1171142 |
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| reference | envipathM:...acd85b96c5cc |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | YBQQDIFGYLFANP-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-19-35(48)25(43)13-33(52-19)57-37-27(45)15-34(55-28(37)17-42)56-36-20(2)53-32(14-26(36)44)54-22-7-9-38(3)21(11-22)5-6-23-24(38)12-30(46)39(4)29(8-10-41(23,39)50)40(49)16-31(47)51-18-40/h17,19-30,32-34,36-37,43-46,49-50H,5-16,18H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7(O)COC(=O)C7)CCC65O)C4)OC3C)OC2C=O)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-19-35(48)25(43)13-33(52-19)57-37-27(45)15-34(55-28(37)17-42)56-36-20(2)53-32(14-26(36)44)54-22-7-9-38(3)21(11-22)5-6-23-24(38)12-30(46)39(4)29(8-10-41(23,39)50)40(49)16-31(47)51-18-40/h17,19-30,32-34,36-37,43-46,49-50H,5-16,18H2,1-4H3/t19?,20?,21?,22?,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:19]1[C:35](=[O:48])[CH:25]([OH:43])[CH2:13][CH:33]([O:57][CH:37]2[CH:27]([OH:45])[CH2:15][CH:34]([O:56][CH:36]3[CH:20]([CH3:2])[O:53][CH:32]([O:54][CH:22]4[CH2:7][CH2:9][C:38]5([CH3:3])[CH:21]([CH2:5][CH2:6][CH:23]6[CH:24]5[CH2:12][CH:30]([OH:46])[C:39]5([CH3:4])[CH:29]([C:40]7([OH:49])[CH2:16][C:31](=[O:47])[O:51][CH2:18]7)[CH2:8][CH2:10][C:41]65[OH:50])[CH2:11]4)[CH2:14][CH:26]3[OH:44])[O:55][CH:28]2[CH:17]=[O:42])[O:52]1 |
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