| Properties | Image |
|---|
| MNX_ID | MNXM1186528 |
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| reference | envipathM:...2b873fa580a9 |
| formula | C35H51O12 |
| global charge | -1 |
| mol weight | 663.781 |
| InChIKey | LAYZKLPXAXNQIP-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H52O12/c1-17-31(42)25(37)14-30(44-17)47-32-18(2)45-29(15-26(32)38)46-21-7-9-33(3)20(12-21)5-6-23-24(33)13-27(39)34(4)22(8-10-35(23,34)43)19(16-36)11-28(40)41/h11,16-18,20-24,26-27,29-32,38-39,42-43H,5-10,12-15H2,1-4H3,(H,40,41)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(C(C=O)=CC(=O)[O-])CCC54O)C3)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C35H52O12/c1-17-31(42)25(37)14-30(44-17)47-32-18(2)45-29(15-26(32)38)46-21-7-9-33(3)20(12-21)5-6-23-24(33)13-27(39)34(4)22(8-10-35(23,34)43)19(16-36)11-28(40)41/h11,16-18,20-24,26-27,29-32,38-39,42-43H,5-10,12-15H2,1-4H3,(H,40,41)/b19-11?/t17?,18?,20?,21?,22?,23?,24?,26?,27?,29?,30?,31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:31]([OH:42])[C:25](=[O:37])[CH2:14][CH:30]([O:47][CH:32]2[CH:18]([CH3:2])[O:45][CH:29]([O:46][CH:21]3[CH2:7][CH2:9][C:33]4([CH3:3])[CH:20]([CH2:5][CH2:6][CH:23]5[CH:24]4[CH2:13][CH:27]([OH:39])[C:34]4([CH3:4])[CH:22]([C:19](=[CH:11][C:28](=[O:40])[OH:41])[CH:16]=[O:36])[CH2:8][CH2:10][C:35]54[OH:43])[CH2:12]3)[CH2:15][CH:26]2[OH:38])[O:44]1 |
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