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Found 8 results

Search term: DATA_SOURCE in ('demo and testing')
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2157


InChI=1/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
C9H8O4180.1574192281033837647326
236


InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H
C6H678.1118148104112184176614
937


InChI=1/H2O/h1H2
H2O18.015313523830416165177753
477798
InChI=1/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h4H,2-3,5H2,1H3
C7H10O2126.15311117517
65328941

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C82H154N2O25P2/c1-7-13-19-25-31-32-38-44-50-56-72(91)103-66(54-48-42-36-29-23-17-11-5)60-70(89)84-76-80(107-74(93)58-64(87)52-46-40-34-27-21-15-9-3)78(108-110(95,96)97)67(61-85)104-81(76)101-62-68-77(94)79(106-73(92)57-63(86)51-45-39-33-26-20-14-8-2)75(82(105-68)109-111(98,99)100)83-69(88)59-65(53-47-41-35-28-22-16-10-4)102-71(90)55-49-43-37-30-24-18-12-6/h63-68,75-82,85-87,94H,7-62H2,1-6H3,(H,83,88)(H,84,89)(H2,95,96,97)(H2,98,99,100)/t63-,64-,65-,66-,67-,68-,75-,76-,77-,78-,79-,80-,81-,82-/m1/s1
C82H154N2O25P21630.04613300
65328942

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C16H23N3O/c1-17-15(20)8-4-7-14-16-12(9-10-18-14)11-5-2-3-6-13(11)19-16/h2-3,5-6,12,14,16,18-19H,4,7-10H2,1H3,(H,17,20)
C16H23N3O273.37333300
67864608

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H74N16O15S2.C2H4O2/c1-67(52(57)83)50(81)32(10-5-6-18-53)62-49(80)38-11-7-19-68(38)51(82)37-27-85-84-26-36(60-43(74)25-59-42(73)24-58-41(72)23-54)48(79)64-34(21-29-12-14-30(69)15-13-29)46(77)63-33(20-28-8-3-2-4-9-28)45(76)61-31(16-17-39(55)70)44(75)65-35(22-40(56)71)47(78)66-37;1-2(3)4/h2-4,8-9,12-15,31-38,69H,5-7,10-11,16-27,53-54H2,1H3,(H2,55,70)(H2,56,71)(H2,57,83)(H,58,72)(H,59,73)(H,60,74)(H,61,76)(H,62,80)(H,63,77)(H,64,79)(H,65,75)(H,66,78);1H3,(H,3,4)/t31-,32-,33-,34-,35-,36+,37+,38-;/m0./s1
C54H78N16O17S21287.42412100
67864609

37 of 37 defined stereocentres - 37/37 defined
InChI=1/C184H282N50O60S.C2H4O2/c1-16-94(10)147(178(289)213-115(52-58-144(257)258)163(274)218-122(73-101-77-195-106-39-24-23-38-103(101)106)168(279)215-117(68-90(2)3)165(276)205-108(41-26-28-61-186)158(269)219-123(75-134(190)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)224-127(87-238)174(285)222-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)230-152(263)105(188)84-235)228-170(281)120(71-99-34-19-17-20-35-99)217-166(277)118(69-91(4)5)214-159(270)109(42-29-62-194-184(191)192)212-177(288)146(93(8)9)227-150(261)95(11)203-156(267)112(49-55-141(251)252)208-161(272)113(50-56-142(253)254)209-162(273)114(51-57-143(255)256)210-164(275)116(59-67-295-15)211-160(271)111(47-53-133(189)242)207-157(268)107(40-25-27-60-185)206-172(283)126(86-237)223-167(278)119(70-92(6)7)216-169(280)124(76-145(259)260)220-173(284)128(88-239)225-180(291)149(98(14)241)229-171(282)121(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)226-138(247)82-199-153(264)110(48-54-140(249)250)204-137(246)81-197-151(262)104(187)74-102-78-193-89-201-102;1-2(3)4/h17-24,34-39,77-78,89-98,104-105,107-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-188H2,1-15H3,(H2,189,242)(H2,190,243)(H,193,201)(H,196,244)(H,197,262)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,285)(H,223,278)(H,224,286)(H,225,291)(H,226,247)(H,227,261)(H,228,281)(H,229,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)(H,230,263,287);1H3,(H,3,4)/t94-,95-,96-,97+,98+,104-,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129+,130+,131+,132+,146-,147-,148-,149-;/m0./s1
C186H286N50O62S4246.623839999982100

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