Nobotanin k

Structural Information

Molecular Formula

C₁₆₄H₁₁₀O₁₀₄

SMILES

C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4OC5=C(C(=C6C(=C5)C(=O)OC7C(C(OC(C7OC(=O)C8=CC(=C(C(=C8OC9=C(C(=C2C(=C9)C(=O)OC4C5C(COC(=O)C7=CC(=C(C(=C7C7=C(C(=C(C=C7C(=O)O5)O)O)O)O)O)OC5=C(C(=C(C=C5C(=O)OC5C(OC(C7C5OC(=O)C5=CC(=C(C(=C5C5=C(C(=C(C=C5C(=O)O7)O)O)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)OC(C4OC(=O)C4=CC(=C(C(=C42)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O)O)O)COC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C26)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O3)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O

InChI

InChI=1S/C164H110O104/c165-50-1-30(2-51(166)91(50)187)141(222)242-26-75-131(135-138(161(249-75)265-143(224)32-5-54(169)93(189)55(170)6-32)262-152(233)40-16-65(180)100(196)115(211)83(40)82-39(151(232)258-135)15-64(179)99(195)114(82)210)255-158(239)47-20-69(184)105(201)123(219)126(47)246-72-23-44-88(120(216)108(72)204)85-37(13-62(177)102(198)117(85)213)149(230)253-129-77(29-245-147(44)228)251-163(267-145(226)34-9-58(173)95(191)59(174)10-34)137-133(129)259-156(237)45-24-73(109(205)121(217)89(45)86-42(154(235)261-137)18-67(182)103(199)118(86)214)247-127-48(21-70(185)106(202)124(127)220)159(240)256-132-76(27-243-142(223)31-3-52(167)92(188)53(168)4-31)250-162(266-144(225)33-7-56(171)94(190)57(172)8-33)139-136(132)260-157(238)46-25-74(110(206)122(218)90(46)87-43(155(236)263-139)19-68(183)104(200)119(87)215)248-128-49(22-71(186)107(203)125(128)221)160(241)268-164-140-134(257-150(231)38-14-63(178)98(194)113(209)81(38)84-41(153(234)264-140)17-66(181)101(197)116(84)212)130-78(252-164)28-244-146(227)35-11-60(175)96(192)111(207)79(35)80-36(148(229)254-130)12-61(176)97(193)112(80)208/h1-25,75-78,129-140,161-221H,26-29H2

InChIKey

SBXMDNAULQWWDX-UHFFFAOYSA-N

Compound name

[3,4,5,20,21,22-hexahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-14-yl] 2-[[7-[6-[[20-[6-[(7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl)oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-14-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-8,9,12,13,14,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate

Related CIDs

• CID 16129731