| Properties | Image |
|---|
| MNX_ID | MNXM1187728 |
 |
| reference | envipathM:...c436c48ee0fb |
| formula | C35H53O13 |
| global charge | -1 |
| mol weight | 681.796 |
| InChIKey | YTGVGXOUKUTZMZ-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H54O13/c1-17-31(43)24(38)13-29(45-17)48-32-25(39)14-30(47-26(32)16-37)46-20-6-8-33(2)19(11-20)4-5-22-23(33)12-27(40)34(3)21(7-9-35(22,34)44)18(15-36)10-28(41)42/h10,16-17,19-27,29-32,36,38-40,43-44H,4-9,11-15H2,1-3H3,(H,41,42)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(C(=CC(=O)[O-])CO)CCC54O)C3)OC2C=O)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C35H54O13/c1-17-31(43)24(38)13-29(45-17)48-32-25(39)14-30(47-26(32)16-37)46-20-6-8-33(2)19(11-20)4-5-22-23(33)12-27(40)34(3)21(7-9-35(22,34)44)18(15-36)10-28(41)42/h10,16-17,19-27,29-32,36,38-40,43-44H,4-9,11-15H2,1-3H3,(H,41,42)/b18-10?/t17?,19?,20?,21?,22?,23?,24?,25?,26?,27?,29?,30?,31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:31]([OH:43])[CH:24]([OH:38])[CH2:13][CH:29]([O:48][CH:32]2[CH:25]([OH:39])[CH2:14][CH:30]([O:46][CH:20]3[CH2:6][CH2:8][C:33]4([CH3:2])[CH:19]([CH2:4][CH2:5][CH:22]5[CH:23]4[CH2:12][CH:27]([OH:40])[C:34]4([CH3:3])[CH:21]([C:18](=[CH:10][C:28](=[O:41])[OH:42])[CH2:15][OH:36])[CH2:7][CH2:9][C:35]54[OH:44])[CH2:11]3)[O:47][CH:26]2[CH:16]=[O:37])[O:45]1 |
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