**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

ternatin C3

Properties Image Occurences in reactions MNX_ID MNXM1379947 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C45H47O27 charge -1 mass 1019.844 reference seedM:cpd35613 InChIKey DEQSOFKLRJWWFM-QYBWYEENSA-M InChI InChI=1S/C45H48O27/c46-13-26-33(55)36(58)39(61)43(70-26)67-23-7-17(8-24(32(23)54)68-44-40(62)37(59)34(56)27(71-44)14-64-30(52)6-3-16-1-4-18(47)5-2-16)42-25(11-20-21(49)9-19(48)10-22(20)66-42)69-45-41(63)38(60)35(57)28(72-45)15-65-31(53)12-29(50)51/h1-11,26-28,33-41,43-48,54-63H,12-15H2,(H,50,51)/p-1/b6-3+/t26-,27+,28+,33-,34+,35+,36+,37-,38-,39-,40+,41+,43-,44+,45+/m0/s1 SMILES [cH:1]1[cH:4][c:18]([OH:47])[cH:5][cH:2][c:16]1/[CH:3]=[CH:6]/[C:30](=[O:52])[O:64][CH2:14][C@@H:27]1[C@@H:34]([OH:56])[C@H:37]([OH:59])[C@@H:40]([OH:62])[C@H:44]([O:68][c:24]2[cH:8][c:17](-[c:42]3[c:25]([O:69][C@H:45]4[C@H:41]([OH:63])[C@@H:38]([OH:60])[C@H:35]([OH:57])[C@@H:28]([CH2:15][O:65][C:31]([CH2:12][C:29](=[O:50])[OH:51])=[O:53])[O:72]4)[cH:11][c:20]4[c:21](=[O:49])[cH:9][c:19]([OH:48])[cH:10][c:22]-4[o:66]3)[cH:7][c:23]([O:67][C@@H:43]3[C@@H:39]([OH:61])[C@H:36]([OH:58])[C@@H:33]([OH:55])[C@H:26]([CH2:13][OH:46])[O:70]3)[c:32]2[OH:54])[O:71]1

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources

Identifier	Description
seed.compound:cpd35613 seedM:cpd35613	ternatin C3
seedM:M_cpd35613	secondary/obsolete/fantasy identifier