| Properties | Image |
|---|
| MNX_ID | MNXM1187295 |
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| reference | envipathM:...0fe70ab442dc |
| formula | C35H55O14 |
| global charge | -1 |
| mol weight | 699.811 |
| InChIKey | YEZOFYZKVQWJCY-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H56O14/c1-17-30(43)23(38)13-28(46-17)49-31-24(39)14-29(48-25(31)16-37)47-20-6-7-32(2)18(10-20)4-5-21-22(32)12-26(40)33(3)34(44,8-9-35(21,33)45)19(15-36)11-27(41)42/h11,17-18,20-26,28-31,36-40,43-45H,4-10,12-16H2,1-3H3,(H,41,42)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(O)(C(=CC(=O)[O-])CO)CCC54O)C3)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C35H56O14/c1-17-30(43)23(38)13-28(46-17)49-31-24(39)14-29(48-25(31)16-37)47-20-6-7-32(2)18(10-20)4-5-21-22(32)12-26(40)33(3)34(44,8-9-35(21,33)45)19(15-36)11-27(41)42/h11,17-18,20-26,28-31,36-40,43-45H,4-10,12-16H2,1-3H3,(H,41,42)/b19-11?/t17?,18?,20?,21?,22?,23?,24?,25?,26?,28?,29?,30?,31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:30]([OH:43])[CH:23]([OH:38])[CH2:13][CH:28]([O:49][CH:31]2[CH:24]([OH:39])[CH2:14][CH:29]([O:47][CH:20]3[CH2:6][CH2:7][C:32]4([CH3:2])[CH:18]([CH2:4][CH2:5][CH:21]5[CH:22]4[CH2:12][CH:26]([OH:40])[C:33]4([CH3:3])[C:34]([C:19](=[CH:11][C:27](=[O:41])[OH:42])[CH2:15][OH:36])([OH:44])[CH2:8][CH2:9][C:35]54[OH:45])[CH2:10]3)[O:48][CH:25]2[CH2:16][OH:37])[O:46]1 |
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