| Properties | Image |
|---|
| MNX_ID | MNXM1196727 |
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| reference | envipathM:...8ee0cceb2e4f |
| formula | C35H54O15 |
| global charge | -2 |
| mol weight | 714.802 |
| InChIKey | BNNXTPDQZCDGSP-UHFFFAOYSA-L |
| InChI | InChI=1S/C35H56O15/c1-17-30(50-29(48-18(2)37)14-25(39)31(43)44)24(38)13-28(47-17)49-20-5-8-32(3)23-12-26(40)33(4)21(19(16-36)11-27(41)42)7-10-35(33,46)22(23)6-9-34(32,45)15-20/h11,17-18,20-26,28-30,36-40,45-46H,5-10,12-16H2,1-4H3,(H,41,42)(H,43,44)/p-2 |
| SMILES | CC(O)OC(CC(O)C(=O)[O-])OC1C(O)CC(OC2CCC3(C)C4CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC5(O)C4CCC3(O)C2)OC1C |
MNX internals
| InChI (mnx) | InChI=1/C35H56O15/c1-17-30(50-29(48-18(2)37)14-25(39)31(43)44)24(38)13-28(47-17)49-20-5-8-32(3)23-12-26(40)33(4)21(19(16-36)11-27(41)42)7-10-35(33,46)22(23)6-9-34(32,45)15-20/h11,17-18,20-26,28-30,36-40,45-46H,5-10,12-16H2,1-4H3,(H,41,42)(H,43,44)/b19-11?/t17?,18?,20?,21?,22?,23?,24?,25?,26?,28?,29?,30?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:30]([O:50][CH:29]([CH2:14][CH:25]([C:31](=[O:43])[OH:44])[OH:39])[O:48][CH:18]([CH3:2])[OH:37])[CH:24]([OH:38])[CH2:13][CH:28]([O:49][CH:20]2[CH2:5][CH2:8][C:32]3([CH3:3])[CH:23]4[CH2:12][CH:26]([OH:40])[C:33]5([CH3:4])[CH:21]([C:19](=[CH:11][C:27](=[O:41])[OH:42])[CH2:16][OH:36])[CH2:7][CH2:10][C:35]5([OH:46])[CH:22]4[CH2:6][CH2:9][C:34]3([OH:45])[CH2:15]2)[O:47]1 |
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