Camelliatannin C

Properties Image MNX_ID MNXM120117 reference hmdb:HMDB0041378 formula C49H38O28 global charge 0 mol weight 1074.815 InChIKey CAHWVGJOCMGFBC-UHFFFAOYSA-N InChI InChI=1S/C49H38O28/c50-17-2-1-11(3-18(17)51)42-24(57)4-12-26(74-42)9-19(52)31(32(12)59)41(68)44-45(77-49(72)16-8-23(56)36(63)40(67)30(16)29-15(48(71)76-44)7-22(55)35(62)39(29)66)43-25(58)10-73-46(69)13-5-20(53)33(60)37(64)27(13)28-14(47(70)75-43)6-21(54)34(61)38(28)65/h1-3,5-9,24-25,41-45,50-68H,4,10H2 SMILES O=C1OCC(O)C(C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC2C(O)C2=C(O)C=C3OC(C4=CC(O)=C(O)C=C4)C(O)CC3=C2O)OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C12 MNX internals InChI (mnx) InChI=1/C49H38O28/c50-17-2-1-11(3-18(17)51)42-24(57)4-12-26(74-42)9-19(52)31(32(12)59)41(68)44-45(77-49(72)16-8-23(56)36(63)40(67)30(16)29-15(48(71)76-44)7-22(55)35(62)39(29)66)43-25(58)10-73-46(69)13-5-20(53)33(60)37(64)27(13)28-14(47(70)75-43)6-21(54)34(61)38(28)65/h1-3,5-9,24-25,41-45,50-68H,4,10H2/t24?,25?,41?,42?,43?,44?,45? SMILES (mnx) [CH:1]1=[CH:2][C:17]([OH:50])=[C:18]([OH:51])[CH:3]=[C:11]1[CH:42]1[CH:24]([OH:57])[CH2:4][C:12]2=[C:32]([OH:59])[C:31]([CH:41]([CH:44]3[CH:45]([CH:43]4[CH:25]([OH:58])[CH2:10][O:73][C:46](=[O:69])[C:13]5=[CH:5][C:20]([OH:53])=[C:33]([OH:60])[C:37]([OH:64])=[C:27]5[C:28]5=[C:14]([CH:6]=[C:21]([OH:54])[C:34]([OH:61])=[C:38]5[OH:65])[C:47](=[O:70])[O:75]4)[O:77][C:49](=[O:72])[C:16]4=[C:30]([C:29]5=[C:39]([OH:66])[C:35]([OH:62])=[C:22]([OH:55])[CH:7]=[C:15]5[C:48](=[O:71])[O:76]3)[C:40]([OH:67])=[C:36]([OH:63])[C:23]([OH:56])=[CH:8]4)[OH:68])=[C:19]([OH:52])[CH:9]=[C:26]2[O:74]1

Parent-child relations graph

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