| Properties | Image |
|---|
| MNX_ID | MNXM1171698 |
 |
| reference | envipathM:...ce25d0334f13 |
| formula | C35H53O15 |
| global charge | -1 |
| mol weight | 713.794 |
| InChIKey | YSVNURQKQMAEQT-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H54O15/c1-15-30(44)22(37)11-29(47-15)50-31-16(2)48-28(12-23(31)38)49-19-7-17-5-6-20-21(32(17,3)24(39)9-19)10-25(40)33(4)34(20,45)13-26(41)35(33,46)18(14-36)8-27(42)43/h8,15-17,19-26,28-29,31,36-41,45-46H,5-7,9-14H2,1-4H3,(H,42,43)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CC(O)C4(C)C(CCC5C4CC(O)C4(C)C5(O)CC(O)C4(O)C(=CC(=O)[O-])CO)C3)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H54O15/c1-15-30(44)22(37)11-29(47-15)50-31-16(2)48-28(12-23(31)38)49-19-7-17-5-6-20-21(32(17,3)24(39)9-19)10-25(40)33(4)34(20,45)13-26(41)35(33,46)18(14-36)8-27(42)43/h8,15-17,19-26,28-29,31,36-41,45-46H,5-7,9-14H2,1-4H3,(H,42,43)/b18-8?/t15?,16?,17?,19?,20?,21?,22?,23?,24?,25?,26?,28?,29?,31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:15]1[C:30](=[O:44])[CH:22]([OH:37])[CH2:11][CH:29]([O:50][CH:31]2[CH:16]([CH3:2])[O:48][CH:28]([O:49][CH:19]3[CH2:7][CH:17]4[CH2:5][CH2:6][CH:20]5[CH:21]([CH2:10][CH:25]([OH:40])[C:33]6([CH3:4])[C:34]5([OH:45])[CH2:13][CH:26]([OH:41])[C:35]6([C:18](=[CH:8][C:27](=[O:42])[OH:43])[CH2:14][OH:36])[OH:46])[C:32]4([CH3:3])[CH:24]([OH:39])[CH2:9]3)[CH2:12][CH:23]2[OH:38])[O:47]1 |
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