| Properties | Image |
|---|
| MNX_ID | MNXM1138673 |
 |
| reference | envipathM:...f3b8afdfc54c |
| formula | C35H53O14 |
| global charge | -1 |
| mol weight | 697.795 |
| InChIKey | JZPOKSJULHVDQX-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H54O14/c1-16-30(43)23(38)12-29(46-16)49-31-17(2)47-28(13-24(31)39)48-19-5-7-32(3)21(10-19)22(37)11-25-34(44)8-6-20(18(15-36)9-27(41)42)33(34,4)26(40)14-35(25,32)45/h9,15-17,19-26,28-31,37-40,43-45H,5-8,10-14H2,1-4H3,(H,41,42)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)C(O)CC3C4(O)CC(O)C4(C)C(C(C=O)=CC(=O)[O-])CCC34O)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C35H54O14/c1-16-30(43)23(38)12-29(46-16)49-31-17(2)47-28(13-24(31)39)48-19-5-7-32(3)21(10-19)22(37)11-25-34(44)8-6-20(18(15-36)9-27(41)42)33(34,4)26(40)14-35(25,32)45/h9,15-17,19-26,28-31,37-40,43-45H,5-8,10-14H2,1-4H3,(H,41,42)/b18-9?/t16?,17?,19?,20?,21?,22?,23?,24?,25?,26?,28?,29?,30?,31?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH:16]1[CH:30]([OH:43])[CH:23]([OH:38])[CH2:12][CH:29]([O:49][CH:31]2[CH:17]([CH3:2])[O:47][CH:28]([O:48][CH:19]3[CH2:5][CH2:7][C:32]4([CH3:3])[CH:21]([CH2:10]3)[CH:22]([OH:37])[CH2:11][CH:25]3[C:34]5([OH:44])[CH2:8][CH2:6][CH:20]([C:18](=[CH:9][C:27](=[O:41])[OH:42])[CH:15]=[O:36])[C:33]5([CH3:4])[CH:26]([OH:40])[CH2:14][C:35]34[OH:45])[CH2:13][CH:24]2[OH:39])[O:46]1 |
|