| Properties | Image |
|---|
| MNX_ID | MNXM1176939 |
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| reference | envipathM:...fe094633c879 |
| formula | C41H63O16 |
| global charge | -1 |
| mol weight | 811.939 |
| InChIKey | VFBGXTNOFANIQM-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O16/c1-18-36(50)27(44)14-33(52-18)56-38-20(3)54-34(16-29(38)46)57-37-19(2)53-32(15-28(37)45)55-23-6-8-39(4)22(11-23)12-26(43)35-25(39)13-30(47)40(5)24(7-9-41(35,40)51)21(17-42)10-31(48)49/h17-30,32-35,37-38,43-47,51H,6-16H2,1-5H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C(C=O)CC(=O)[O-])CCC45O)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O16/c1-18-36(50)27(44)14-33(52-18)56-38-20(3)54-34(16-29(38)46)57-37-19(2)53-32(15-28(37)45)55-23-6-8-39(4)22(11-23)12-26(43)35-25(39)13-30(47)40(5)24(7-9-41(35,40)51)21(17-42)10-31(48)49/h17-30,32-35,37-38,43-47,51H,6-16H2,1-5H3,(H,48,49)/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[C:36](=[O:50])[CH:27]([OH:44])[CH2:14][CH:33]([O:56][CH:38]2[CH:20]([CH3:3])[O:54][CH:34]([O:57][CH:37]3[CH:19]([CH3:2])[O:53][CH:32]([O:55][CH:23]4[CH2:6][CH2:8][C:39]5([CH3:4])[CH:22]([CH2:11]4)[CH2:12][CH:26]([OH:43])[CH:35]4[CH:25]5[CH2:13][CH:30]([OH:47])[C:40]5([CH3:5])[CH:24]([CH:21]([CH2:10][C:31](=[O:48])[OH:49])[CH:17]=[O:42])[CH2:7][CH2:9][C:41]45[OH:51])[CH2:15][CH:28]3[OH:45])[CH2:16][CH:29]2[OH:46])[O:52]1 |
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