Syzyginin A

Properties Image MNX_ID MNXM130995 reference hmdb:HMDB0030236 formula C48H34O31 global charge 0 mol weight 1106.769 InChIKey HYXQWPAKDBAJLB-UHFFFAOYSA-N InChI InChI=1S/C48H34O31/c49-17-1-11(2-18(50)29(17)58)43(68)77-40-39-26(74-48(79-45(70)13-5-21(53)31(60)22(54)6-13)41(40)78-44(69)12-3-19(51)30(59)20(52)4-12)10-73-46(71)14-8-25(57)38(75-37-16(42(66)67)9-24(56)33(62)36(37)65)35(64)28(14)27-15(47(72)76-39)7-23(55)32(61)34(27)63/h1-9,26,39-41,48-65H,10H2,(H,66,67) SMILES O=C(O)C1=CC(O)=C(O)C(O)=C1OC1=C(O)C2=C(C=C1O)C(=O)OCC1OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C1OC(=O)C1=C2C(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C48H34O31/c49-17-1-11(2-18(50)29(17)58)43(68)77-40-39-26(74-48(79-45(70)13-5-21(53)31(60)22(54)6-13)41(40)78-44(69)12-3-19(51)30(59)20(52)4-12)10-73-46(71)14-8-25(57)38(75-37-16(42(66)67)9-24(56)33(62)36(37)65)35(64)28(14)27-15(47(72)76-39)7-23(55)32(61)34(27)63/h1-9,26,39-41,48-65H,10H2,(H,66,67)/t26?,39?,40?,41?,48? SMILES (mnx) [CH:1]1=[C:11]([C:43](=[O:68])[O:77][CH:40]2[CH:39]3[CH:26]([CH2:10][O:73][C:46](=[O:71])[C:14]4=[C:28]([C:27]5=[C:34]([OH:63])[C:32]([OH:61])=[C:23]([OH:55])[CH:7]=[C:15]5[C:47](=[O:72])[O:76]3)[C:35]([OH:64])=[C:38]([O:75][C:37]3=[C:36]([OH:65])[C:33]([OH:62])=[C:24]([OH:56])[CH:9]=[C:16]3[C:42](=[O:66])[OH:67])[C:25]([OH:57])=[CH:8]4)[O:74][CH:48]([O:79][C:45]([C:13]3=[CH:5][C:21]([OH:53])=[C:31]([OH:60])[C:22]([OH:54])=[CH:6]3)=[O:70])[CH:41]2[O:78][C:44]([C:12]2=[CH:3][C:19]([OH:51])=[C:30]([OH:59])[C:20]([OH:52])=[CH:4]2)=[O:69])[CH:2]=[C:18]([OH:50])[C:29]([OH:58])=[C:17]1[OH:49]

Parent-child relations graph

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