Sanguiin H8

Properties Image MNX_ID MNXM130485 reference hmdb:HMDB0039258 formula C54H42O36 global charge 0 mol weight 1266.894 InChIKey WUALHADVSUQRQJ-UHFFFAOYSA-N InChI InChI=1S/C54H42O36/c55-8-22-34(67)45-46(88-51(80)14-7-20(61)32(65)36(69)25(14)24-13(50(79)87-45)6-19(60)31(64)35(24)68)54(84-22)90-48(77)11-3-17(58)30(63)21(4-11)83-44-28-27(38(71)39(72)40(44)73)26-12(5-18(59)33(66)37(26)70)49(78)82-9-23-43(86-52(28)81)41(74)42(75)53(85-23)89-47(76)10-1-15(56)29(62)16(57)2-10/h1-7,22-23,34,41-43,45-46,53-75H,8-9H2 SMILES O=C(OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C(OC4=C(O)C(O)=CC(C(=O)OC5OC(CO)C(O)C6OC(=O)C7=C(C(O)=C(O)C(O)=C7)C7=C(O)C(O)=C(O)C=C7C(=O)OC56)=C4)=C3C(=O)OC2C(O)C1O)C1=CC(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C54H42O36/c55-8-22-34(67)45-46(88-51(80)14-7-20(61)32(65)36(69)25(14)24-13(50(79)87-45)6-19(60)31(64)35(24)68)54(84-22)90-48(77)11-3-17(58)30(63)21(4-11)83-44-28-27(38(71)39(72)40(44)73)26-12(5-18(59)33(66)37(26)70)49(78)82-9-23-43(86-52(28)81)41(74)42(75)53(85-23)89-47(76)10-1-15(56)29(62)16(57)2-10/h1-7,22-23,34,41-43,45-46,53-75H,8-9H2/t22?,23?,34?,41?,42?,43?,45?,46?,53?,54? SMILES (mnx) [CH:1]1=[C:10]([C:47](=[O:76])[O:89][CH:53]2[CH:42]([OH:75])[CH:41]([OH:74])[CH:43]3[CH:23]([CH2:9][O:82][C:49](=[O:78])[C:12]4=[CH:5][C:18]([OH:59])=[C:33]([OH:66])[C:37]([OH:70])=[C:26]4[C:27]4=[C:28]([C:44]([O:83][C:21]5=[CH:4][C:11]([C:48](=[O:77])[O:90][CH:54]6[CH:46]7[CH:45]([CH:34]([OH:67])[CH:22]([CH2:8][OH:55])[O:84]6)[O:87][C:50](=[O:79])[C:13]6=[CH:6][C:19]([OH:60])=[C:31]([OH:64])[C:35]([OH:68])=[C:24]6[C:25]6=[C:14]([CH:7]=[C:20]([OH:61])[C:32]([OH:65])=[C:36]6[OH:69])[C:51](=[O:80])[O:88]7)=[CH:3][C:17]([OH:58])=[C:30]5[OH:63])=[C:40]([OH:73])[C:39]([OH:72])=[C:38]4[OH:71])[C:52](=[O:81])[O:86]3)[O:85]2)[CH:2]=[C:16]([OH:57])[C:29]([OH:62])=[C:15]1[OH:56]

Parent-child relations graph

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