| Properties | Image |
|---|
| MNX_ID | MNXM1138380 |
 |
| reference | envipathM:...e6936e42e7f5 |
| formula | C35H55O15 |
| global charge | -1 |
| mol weight | 715.81 |
| InChIKey | VDHCMJHTKIEBMY-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H56O15/c1-15-32(50-29-10-21(38)31(45)24(14-37)49-29)22(39)11-28(47-15)48-18-7-17-4-5-19-20(33(17,2)25(41)8-18)9-26(42)34(3)30(16(13-36)6-27(43)44)23(40)12-35(19,34)46/h6,15,17-26,28-32,36-42,45-46H,4-5,7-14H2,1-3H3,(H,43,44)/p-1 |
| SMILES | CC1OC(OC2CC(O)C3(C)C(CCC4C3CC(O)C3(C)C(C(=CC(=O)[O-])CO)C(O)CC43O)C2)CC(O)C1OC1CC(O)C(O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C35H56O15/c1-15-32(50-29-10-21(38)31(45)24(14-37)49-29)22(39)11-28(47-15)48-18-7-17-4-5-19-20(33(17,2)25(41)8-18)9-26(42)34(3)30(16(13-36)6-27(43)44)23(40)12-35(19,34)46/h6,15,17-26,28-32,36-42,45-46H,4-5,7-14H2,1-3H3,(H,43,44)/b16-6?/t15?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,28?,29?,30?,31?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH:15]1[CH:32]([O:50][CH:29]2[CH2:10][CH:21]([OH:38])[CH:31]([OH:45])[CH:24]([CH2:14][OH:37])[O:49]2)[CH:22]([OH:39])[CH2:11][CH:28]([O:48][CH:18]2[CH2:7][CH:17]3[CH2:4][CH2:5][CH:19]4[CH:20]([CH2:9][CH:26]([OH:42])[C:34]5([CH3:3])[CH:30]([C:16](=[CH:6][C:27](=[O:43])[OH:44])[CH2:13][OH:36])[CH:23]([OH:40])[CH2:12][C:35]45[OH:46])[C:33]3([CH3:2])[CH:25]([OH:41])[CH2:8]2)[O:47]1 |
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