| Properties | Image |
|---|
| MNX_ID | MNXM1195305 |
 |
| reference | envipathM:...0ffb884836eb |
| formula | C35H53O15 |
| global charge | -1 |
| mol weight | 713.794 |
| InChIKey | GBSARXBQRRWWFN-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H54O15/c1-16-29(43)21(37)10-28(47-16)50-30-17(2)48-27(11-22(30)38)49-19-5-7-31(3)23-12-24(39)32(4)20(18(15-36)9-26(41)42)6-8-35(32,46)33(23,44)14-25(40)34(31,45)13-19/h9,16-17,19-25,27-28,30,36-40,44-46H,5-8,10-15H2,1-4H3,(H,41,42)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C5CC(O)C6(C)C(C(=CC(=O)[O-])CO)CCC6(O)C5(O)CC(O)C4(O)C3)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H54O15/c1-16-29(43)21(37)10-28(47-16)50-30-17(2)48-27(11-22(30)38)49-19-5-7-31(3)23-12-24(39)32(4)20(18(15-36)9-26(41)42)6-8-35(32,46)33(23,44)14-25(40)34(31,45)13-19/h9,16-17,19-25,27-28,30,36-40,44-46H,5-8,10-15H2,1-4H3,(H,41,42)/b18-9?/t16?,17?,19?,20?,21?,22?,23?,24?,25?,27?,28?,30?,31?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH:16]1[C:29](=[O:43])[CH:21]([OH:37])[CH2:10][CH:28]([O:50][CH:30]2[CH:17]([CH3:2])[O:48][CH:27]([O:49][CH:19]3[CH2:5][CH2:7][C:31]4([CH3:3])[CH:23]5[CH2:12][CH:24]([OH:39])[C:32]6([CH3:4])[CH:20]([C:18](=[CH:9][C:26](=[O:41])[OH:42])[CH2:15][OH:36])[CH2:6][CH2:8][C:35]6([OH:46])[C:33]5([OH:44])[CH2:14][CH:25]([OH:40])[C:34]4([OH:45])[CH2:13]3)[CH2:11][CH:22]2[OH:38])[O:47]1 |
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