Olitoriusin

Properties Image MNX_ID MNXM128852 reference chebi:192446 formula C41H62O19 global charge 0 mol weight 858.928 InChIKey NJSLEWLDVLXNKW-UHFFFAOYSA-N InChI InChI=1S/C41H62O19/c1-18-35(60-37-34(51)32(49)30(47)26(59-37)16-55-36-33(50)31(48)29(46)25(14-42)58-36)24(44)12-28(56-18)57-20-3-8-39(17-43)22-4-7-38(2)21(19-11-27(45)54-15-19)6-10-41(38,53)23(22)5-9-40(39,52)13-20/h11,17-18,20-26,28-37,42,44,46-53H,3-10,12-16H2,1-2H3 SMILES CC1OC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C41H62O19/c1-18-35(60-37-34(51)32(49)30(47)26(59-37)16-55-36-33(50)31(48)29(46)25(14-42)58-36)24(44)12-28(56-18)57-20-3-8-39(17-43)22-4-7-38(2)21(19-11-27(45)54-15-19)6-10-41(38,53)23(22)5-9-40(39,52)13-20/h11,17-18,20-26,28-37,42,44,46-53H,3-10,12-16H2,1-2H3/t18?,20?,21?,22?,23?,24?,25?,26?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? SMILES (mnx) [CH3:1][CH:18]1[CH:35]([O:60][CH:37]2[CH:34]([OH:51])[CH:32]([OH:49])[CH:30]([OH:47])[CH:26]([CH2:16][O:55][CH:36]3[CH:33]([OH:50])[CH:31]([OH:48])[CH:29]([OH:46])[CH:25]([CH2:14][OH:42])[O:58]3)[O:59]2)[CH:24]([OH:44])[CH2:12][CH:28]([O:57][CH:20]2[CH2:3][CH2:8][C:39]3([CH:17]=[O:43])[CH:22]4[CH2:4][CH2:7][C:38]5([CH3:2])[CH:21]([C:19]6=[CH:11][C:27](=[O:45])[O:54][CH2:15]6)[CH2:6][CH2:10][C:41]5([OH:53])[CH:23]4[CH2:5][CH2:9][C:40]3([OH:52])[CH2:13]2)[O:56]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0