Maduramicin

Properties Image MNX_ID MNXM127610 reference hmdb:HMDB0029453 formula C47H80O17 global charge 0 mol weight 917.14 InChIKey VVYPHUVLJAPZHM-UHFFFAOYSA-N InChI InChI=1S/C47H80O17/c1-23-18-24(2)45(9,51)61-35(23)31-20-32(59-42-39(55-12)30(53-10)19-25(3)57-42)41(58-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)26(4)36(62-46)27(5)37-40(56-13)38(54-11)28(6)47(52,63-37)22-34(49)50/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50) SMILES COC1CC(C)OC(OC2CC(C3OC(C)(O)C(C)CC3C)OC2C2(C)CCC(C3(C)CCC4(CC(O)C(C)C(C(C)C5OC(O)(CC(=O)O)C(C)C(OC)C5OC)O4)O3)O2)C1OC MNX internals InChI (mnx) InChI=1/C47H80O17/c1-23-18-24(2)45(9,51)61-35(23)31-20-32(59-42-39(55-12)30(53-10)19-25(3)57-42)41(58-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)26(4)36(62-46)27(5)37-40(56-13)38(54-11)28(6)47(52,63-37)22-34(49)50/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50)/t23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47? SMILES (mnx) [CH3:1][CH:23]1[CH2:18][CH:24]([CH3:2])[C:45]([CH3:9])([OH:51])[O:61][CH:35]1[CH:31]1[CH2:20][CH:32]([O:59][CH:42]2[CH:39]([O:55][CH3:12])[CH:30]([O:53][CH3:10])[CH2:19][CH:25]([CH3:3])[O:57]2)[CH:41]([C:44]2([CH3:8])[CH2:15][CH2:14][CH:33]([C:43]3([CH3:7])[CH2:16][CH2:17][C:46]4([CH2:21][CH:29]([OH:48])[CH:26]([CH3:4])[CH:36]([CH:27]([CH3:5])[CH:37]5[CH:40]([O:56][CH3:13])[CH:38]([O:54][CH3:11])[CH:28]([CH3:6])[C:47]([CH2:22][C:34](=[O:49])[OH:50])([OH:52])[O:63]5)[O:62]4)[O:64]3)[O:60]2)[O:58]1

Parent-child relations graph

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