| Properties | Image |
|---|
| MNX_ID | MNXM1179069 |
 |
| reference | envipathM:...5623af1e554f |
| formula | C35H55O14 |
| global charge | -1 |
| mol weight | 699.811 |
| InChIKey | YRCVRQDKEAVBHF-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H56O14/c1-17-30(49-29-14-27(41)48-31(42)18(2)46-29)24(37)13-28(45-17)47-20-5-8-32(3)23-12-25(38)33(4)21(19(16-36)11-26(39)40)7-10-35(33,44)22(23)6-9-34(32,43)15-20/h17-25,27-30,36-38,41,43-44H,5-16H2,1-4H3,(H,39,40)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C5CC(O)C6(C)C(C(CO)CC(=O)[O-])CCC6(O)C5CCC4(O)C3)OC2C)CC(O)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H56O14/c1-17-30(49-29-14-27(41)48-31(42)18(2)46-29)24(37)13-28(45-17)47-20-5-8-32(3)23-12-25(38)33(4)21(19(16-36)11-26(39)40)7-10-35(33,44)22(23)6-9-34(32,43)15-20/h17-25,27-30,36-38,41,43-44H,5-16H2,1-4H3,(H,39,40)/t17?,18?,19?,20?,21?,22?,23?,24?,25?,27?,28?,29?,30?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:30]([O:49][CH:29]2[CH2:14][CH:27]([OH:41])[O:48][C:31](=[O:42])[CH:18]([CH3:2])[O:46]2)[CH:24]([OH:37])[CH2:13][CH:28]([O:47][CH:20]2[CH2:5][CH2:8][C:32]3([CH3:3])[CH:23]4[CH2:12][CH:25]([OH:38])[C:33]5([CH3:4])[CH:21]([CH:19]([CH2:11][C:26](=[O:39])[OH:40])[CH2:16][OH:36])[CH2:7][CH2:10][C:35]5([OH:44])[CH:22]4[CH2:6][CH2:9][C:34]3([OH:43])[CH2:15]2)[O:45]1 |
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