| Properties | Image |
|---|
| MNX_ID | MNXM1184453 |
 |
| reference | envipathM:...6a3d66edde8d |
| formula | C35H53O15 |
| global charge | -1 |
| mol weight | 713.794 |
| InChIKey | MDPHPXNXEXPBEC-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H54O15/c1-16-30(44)23(39)12-28(47-16)50-31-24(40)13-29(49-25(31)15-37)48-18-4-5-32(2)19-11-26(41)33(3)34(45,17(14-36)8-27(42)43)6-7-35(33,46)20(19)10-22(38)21(32)9-18/h8,16,18-26,28-29,31,36-41,45-46H,4-7,9-15H2,1-3H3,(H,42,43)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)C(O)CC3C4CC(O)C4(C)C(O)(C(=CC(=O)[O-])CO)CCC34O)OC2CO)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H54O15/c1-16-30(44)23(39)12-28(47-16)50-31-24(40)13-29(49-25(31)15-37)48-18-4-5-32(2)19-11-26(41)33(3)34(45,17(14-36)8-27(42)43)6-7-35(33,46)20(19)10-22(38)21(32)9-18/h8,16,18-26,28-29,31,36-41,45-46H,4-7,9-15H2,1-3H3,(H,42,43)/b17-8?/t16?,18?,19?,20?,21?,22?,23?,24?,25?,26?,28?,29?,31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:16]1[C:30](=[O:44])[CH:23]([OH:39])[CH2:12][CH:28]([O:50][CH:31]2[CH:24]([OH:40])[CH2:13][CH:29]([O:48][CH:18]3[CH2:4][CH2:5][C:32]4([CH3:2])[CH:19]5[CH2:11][CH:26]([OH:41])[C:33]6([CH3:3])[C:34]([C:17](=[CH:8][C:27](=[O:42])[OH:43])[CH2:14][OH:36])([OH:45])[CH2:6][CH2:7][C:35]6([OH:46])[CH:20]5[CH2:10][CH:22]([OH:38])[CH:21]4[CH2:9]3)[O:49][CH:25]2[CH2:15][OH:37])[O:47]1 |
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