CID 45479272
(araf)3(galf)30-rha-glcnac-p-p-c50
Structural Information
- Molecular Formula
- C259H429NO178P2
- SMILES
- C/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/COP(=O)(O)OP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O[C@H]3[C@@H]([C@H](C(O3)[C@@H](CO)O[C@H]4[C@@H]([C@H](C(O4)[C@@H](CO[C@H]5[C@@H]([C@H](C(O5)[C@@H](CO)O[C@H]6[C@@H]([C@H](C(O6)[C@@H](CO[C@H]7[C@@H]([C@H](C(O7)[C@@H](CO)O[C@H]8[C@@H]([C@H](C(O8)[C@@H](CO[C@H]9[C@@H]([C@H](C(O9)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)OC1=C([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)NC(=O)C
- InChI
- InChI=1S/C259H429NO178P2/c1-14-77(2)24-15-25-78(3)26-16-27-79(4)28-17-29-80(5)30-18-31-81(6)32-19-33-82(7)34-20-35-83(8)36-21-37-84(9)38-22-39-85(10)40-23-41-86(11)62-381-439(363,364)438-440(365,366)437-225-123(260-88(13)281)127(297)206(104(46-265)386-225)432-240-176(346)128(298)193(87(12)382-240)405-259-192(362)155(325)221(433-259)119(61-280)398-255-188(358)140(310)205(417-255)100(293)73-377-236-172(342)151(321)217(428-236)116(58-277)399-256-189(359)156(326)222(434-256)121(403-242-160(330)125(295)102(44-263)384-242)75-379-238-174(344)153(323)219(430-238)118(60-279)401-258-191(361)158(328)224(436-258)122(404-243-161(331)126(296)103(45-264)385-243)76-380-239-175(345)154(324)220(431-239)117(59-278)400-257-190(360)157(327)223(435-257)120(402-241-159(329)124(294)101(43-262)383-241)74-378-237-173(343)152(322)218(429-237)115(57-276)397-254-187(357)139(309)204(416-254)99(292)72-376-235-171(341)150(320)216(427-235)114(56-275)396-253-186(356)138(308)203(415-253)98(291)71-375-234-170(340)149(319)215(426-234)113(55-274)395-252-185(355)137(307)202(414-252)97(290)70-374-233-169(339)148(318)214(425-233)112(54-273)394-251-184(354)136(306)201(413-251)96(289)69-373-232-168(338)147(317)213(424-232)111(53-272)393-250-183(353)135(305)200(412-250)95(288)68-372-231-167(337)146(316)212(423-231)110(52-271)392-249-182(352)134(304)199(411-249)94(287)67-371-230-166(336)145(315)211(422-230)109(51-270)391-248-181(351)133(303)198(410-248)93(286)66-370-229-165(335)144(314)210(421-229)108(50-269)390-247-180(350)132(302)197(409-247)92(285)65-369-228-164(334)143(313)209(420-228)107(49-268)389-246-179(349)131(301)196(408-246)91(284)64-368-227-163(333)142(312)208(419-227)106(48-267)388-245-178(348)130(300)195(407-245)90(283)63-367-226-162(332)141(311)207(418-226)105(47-266)387-244-177(347)129(299)194(406-244)89(282)42-261/h14,25,27,29,31,33,35,37,39,41,87,89-185,187-252,254-259,261-280,282-362H,15-24,26,28,30,32,34,36,38,40,42-76H2,1-13H3,(H,260,281)(H,363,364)(H,365,366)/b77-14-,78-25-,79-27-,80-29-,81-31-,82-33-,83-35-,84-37-,85-39+,86-41+/t87-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,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+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,159-,160-,161-,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181+,182+,183+,184+,185+,187+,188+,189+,190+,191+,192+,193-,194?,195?,196?,197?,198?,199?,200?,201?,202?,203?,204?,205?,206+,207?,208?,209?,210?,211?,212?,213?,214?,215?,216?,217?,218?,219?,220?,221?,222?,223?,224?,225-,226+,227+,228+,229+,230+,231+,232+,233+,234+,235+,236+,237+,238+,239+,240-,241?,242?,243?,244+,245+,246+,247+,248+,249+,250+,251+,252+,254+,255+,256+,257+,258+,259+/m0/s1
- InChIKey
- CORNZXNIJCUBPK-UAPMYHOKSA-N
- Compound name
- None
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6464.4096 | 324.6 |
[M+Na]+ | 6486.3915 | 324.6 |
[M+NH4]+ | 6481.4361 | 324.6 |
[M+K]+ | 6502.3655 | 324.6 |
[M-H]- | 6462.3950 | 324.6 |
[M+Na-2H]- | 6484.3770 | 324.6 |
[M]+ | 6463.4018 | 324.6 |
[M]- | 6463.4028 | 324.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.