| Properties | Image |
|---|
| MNX_ID | MNXM1184510 |
 |
| reference | envipathM:...c71c3c950890 |
| formula | C35H53O15 |
| global charge | -1 |
| mol weight | 713.794 |
| InChIKey | SRJCJGQPAOQARH-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H54O15/c1-16-30(50-29-14-27(42)49-31(43)17(2)47-29)22(37)12-28(46-16)48-20-10-19-5-7-34(44)23(32(19,3)24(38)11-20)13-25(39)33(4)21(6-8-35(33,34)45)18(15-36)9-26(40)41/h9,16-17,19-25,27-30,36-39,42,44-45H,5-8,10-15H2,1-4H3,(H,40,41)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CC(O)C4(C)C(CCC5(O)C4CC(O)C4(C)C(C(=CC(=O)[O-])CO)CCC54O)C3)OC2C)CC(O)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H54O15/c1-16-30(50-29-14-27(42)49-31(43)17(2)47-29)22(37)12-28(46-16)48-20-10-19-5-7-34(44)23(32(19,3)24(38)11-20)13-25(39)33(4)21(6-8-35(33,34)45)18(15-36)9-26(40)41/h9,16-17,19-25,27-30,36-39,42,44-45H,5-8,10-15H2,1-4H3,(H,40,41)/b18-9?/t16?,17?,19?,20?,21?,22?,23?,24?,25?,27?,28?,29?,30?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH:16]1[CH:30]([O:50][CH:29]2[CH2:14][CH:27]([OH:42])[O:49][C:31](=[O:43])[CH:17]([CH3:2])[O:47]2)[CH:22]([OH:37])[CH2:12][CH:28]([O:48][CH:20]2[CH2:10][CH:19]3[CH2:5][CH2:7][C:34]4([OH:44])[CH:23]([CH2:13][CH:25]([OH:39])[C:33]5([CH3:4])[CH:21]([C:18](=[CH:9][C:26](=[O:40])[OH:41])[CH2:15][OH:36])[CH2:6][CH2:8][C:35]54[OH:45])[C:32]3([CH3:3])[CH:24]([OH:38])[CH2:11]2)[O:46]1 |
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