| Properties | Image |
|---|
| MNX_ID | MNXM1175183 |
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| reference | envipathM:...2304034fc8ad |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | ZRWAZQYNVYPYRM-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-33(48)23(42)11-31(53-18)57-35-20(3)55-32(13-25(35)44)58-34-19(2)54-30(12-24(34)43)56-22-8-9-37(4)21(10-22)6-7-27-40(37,50)15-28(46)38(5)36(26(45)14-41(27,38)51)39(49)16-29(47)52-17-39/h18-22,24-28,30-36,43-46,48-51H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5(O)CC(O)C5(C)C(C7(O)COC(=O)C7)C(O)CC65O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-33(48)23(42)11-31(53-18)57-35-20(3)55-32(13-25(35)44)58-34-19(2)54-30(12-24(34)43)56-22-8-9-37(4)21(10-22)6-7-27-40(37,50)15-28(46)38(5)36(26(45)14-41(27,38)51)39(49)16-29(47)52-17-39/h18-22,24-28,30-36,43-46,48-51H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:33]([OH:48])[C:23](=[O:42])[CH2:11][CH:31]([O:57][CH:35]2[CH:20]([CH3:3])[O:55][CH:32]([O:58][CH:34]3[CH:19]([CH3:2])[O:54][CH:30]([O:56][CH:22]4[CH2:8][CH2:9][C:37]5([CH3:4])[CH:21]([CH2:6][CH2:7][CH:27]6[C:40]5([OH:50])[CH2:15][CH:28]([OH:46])[C:38]5([CH3:5])[CH:36]([C:39]7([OH:49])[CH2:16][C:29](=[O:47])[O:52][CH2:17]7)[CH:26]([OH:45])[CH2:14][C:41]65[OH:51])[CH2:10]4)[CH2:12][CH:24]3[OH:43])[CH2:13][CH:25]2[OH:44])[O:53]1 |
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