MOLI000132
Molecular Formula:
C111H186FeO94
InChI: InChI=1/C111H186O93.Fe.O/c112-1-20-39(122)57(140)67(150)94(178-20)168-11-30-44(127)61(144)72(155)99(189-30)174-19-38-56(139)92(83(166)111(195-38)202-88-51(134)26(7-118)184-107(79(88)162)197-85-53(136)35(177-93(167)75(85)158)16-171-98-71(154)64(147)47(130)33(192-98)14-175-101-77(160)86(49(132)25(6-117)180-101)200-106-76(159)84(29(10-121)187-106)196-103-65(148)42(125)23(4-115)182-103)204-109-80(163)87(50(133)27(8-119)186-109)201-108-81(164)89(52(135)28(9-120)185-108)203-110-82(165)91(199-105-74(157)59(142)41(124)22(3-114)181-105)55(138)37(194-110)18-173-100-73(156)62(145)46(129)32(190-100)13-169-96-69(152)60(143)45(128)31(188-96)12-170-97-70(153)63(146)48(131)34(191-97)15-176-102-78(161)90(198-104-66(149)43(126)24(5-116)183-104)54(137)36(193-102)17-172-95-68(151)58(141)40(123)21(2-113)179-95;;/h20-167H,1-19H2;;/q;+2;-2
InChIKey: InChIKey=KDPHUAAWEPFKAU-UHFFFAOYAU
SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4C(C(OC(C4O)OC5C(C(OC(C5O)O)COC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)OC8C(C(C(O8)CO)OC9C(C(C(O9)CO)O)O)O)O)O)O)O)O)CO)O)O)OC1C(C(C(C(O1)CO)O)OC1C(C(C(C(O1)CO)O)OC1C(C(C(C(O1)COC1C(C(C(C(O1)COC1C(C(C(C(O1)COC1C(C(C(C(O1)COC1C(C(C(C(O1)COC1C(C(C(C(O1)CO)O)O)O)O)OC1C(C(C(O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O.[O-2].[Fe+2]
Names:
MOLI000132
4-[4-[4-[4-[4-[6-[[6-[[6-[[6-[[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxy-oxan-2-yl]oxymethyl]-3,4,5-trihydroxy-oxan-2-yl]oxymethyl]-3,4,5-trihydroxy-oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[6-[[4-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxy-oxan-2-yl]oxymethyl]oxane-2,3,5-triol; iron(+2) cation; oxygen(-2) anion
Registries:
PubChem CID 449736
PubChem ID 123
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