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

protogracillin

Properties Image Occurences in reactions MNX_ID MNXM1376458 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C51H84O23 charge 0 mass 1065.21 reference seedM:cpd36013 InChIKey GMCGZPQYTRHQRU-DIRUUWFYSA-N InChI InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32?,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1 SMILES [CH3:1][C@H:20]([CH2:8][CH2:13][C@:51]1([OH:65])[C@@H:21]([CH3:2])[CH:32]2[C@H:28]([CH2:15][C@H:27]3[C@@H:25]4[CH2:7][CH:6]=[C:23]5[CH2:14][C@@H:24]([O:68][C@H:48]6[C@H:44]([O:73][C@H:46]7[C@H:41]([OH:63])[C@H:37]([OH:59])[C@@H:33]([OH:55])[C@H:22]([CH3:3])[O:67]7)[C@@H:43]([O:72][C@H:47]7[C@H:42]([OH:64])[C@@H:39]([OH:61])[C@H:35]([OH:57])[C@@H:30]([CH2:17][OH:53])[O:70]7)[C@H:36]([OH:58])[C@@H:31]([CH2:18][OH:54])[O:71]6)[CH2:9][CH2:11][C@:49]5([CH3:4])[C@H:26]4[CH2:10][CH2:12][C@@:50]32[CH3:5])[O:74]1)[CH2:19][O:66][C@H:45]1[C@H:40]([OH:62])[C@@H:38]([OH:60])[C@H:34]([OH:56])[C@@H:29]([CH2:16][OH:52])[O:69]1

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Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:CPD-15470 metacycM:CPD-15470 seed.compound:cpd36013 seedM:cpd36013	protogracillin
hmdb:HMDB0039482	Trigofoenoside D 2-[(3-hydroxy-6-{[6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 5-Methyl-3,4,6-trithiaoctane Ethyl 1-(ethylthio)ethyl disulphide
hmdb:HMDB39482 seedM:M_cpd36013	secondary/obsolete/fantasy identifier