Chebulinic acid

Properties Image MNX_ID MNXM46261 reference chebi:3584 formula C41H32O27 global charge 0 mol weight 956.68 InChIKey YGVHOSGNOYKRIH-FJPMMHPYSA-N InChI InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22+,24-,30-,31+,33-,34+,41-/m0/s1 SMILES O=C(O)C[C@@H]1C(=O)O[C@H]2[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)[C@@H](O)[C@H]41)[C@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)O[C@@H]2COC(=O)C1=CC(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22+,24-,30-,31+,33-,34+,41-/m0/s1 SMILES (mnx) [CH:1]1=[C:10]([C:35](=[O:56])[O:62][CH2:9][C@@H:22]2[C@@H:31]3[C@H:33]([O:66][C:36]([C:11]4=[CH:3][C:17]([OH:44])=[C:27]([OH:52])[C:18]([OH:45])=[CH:4]4)=[O:57])[C@H:34]([C@H:41]([O:68][C:37]([C:12]4=[CH:5][C:19]([OH:46])=[C:28]([OH:53])[C:20]([OH:47])=[CH:6]4)=[O:58])[O:63]2)[O:67][C:38](=[O:59])[C:13]2=[CH:7][C:21]([OH:48])=[C:29]([OH:54])[C:32]4=[C:25]2[C@H:24]([C@H:14]([CH2:8][C:23](=[O:49])[OH:50])[C:39](=[O:60])[O:64]3)[C@H:30]([OH:55])[C:40](=[O:61])[O:65]4)[CH:2]=[C:16]([OH:43])[C:26]([OH:51])=[C:15]1[OH:42]

Parent-child relations graph

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