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Heavenly blue anthocyanin

PropertiesImageOccurences in reactions
MNX_IDMNXM1104614Image of MNXM1104614
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC79H91O45
charge1
mass1759.48269
referencelipidmapsM:LMPK12010232
InChIKeyISQXIVZPNCPLCO-OINCVQGSSA-O
InChIInChI=1S/C79H90O45/c1-108-42-19-32(8-11-35(42)84)72-45(22-34-40(112-72)20-33(83)21-41(34)114-75-67(103)61(97)55(91)46(23-80)118-75)117-79-73(124-78-71(107)65(101)59(95)50(122-78)27-110-54(90)15-7-31-3-10-37(86)44(18-31)116-77-69(105)63(99)57(93)48(25-82)120-77)66(102)60(96)51(123-79)28-111-52(88)13-5-29-4-12-39(38(87)16-29)113-74-70(106)64(100)58(94)49(121-74)26-109-53(89)14-6-30-2-9-36(85)43(17-30)115-76-68(104)62(98)56(92)47(24-81)119-76/h2-22,46-51,55-71,73-82,91-107H,23-28H2,1H3,(H4-,83,84,85,86,87,89,90)/p+1/b13-5+/t46?,47?,48?,49?,50?,51?,55-,56-,57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67?,68?,69?,70?,71?,73?,74-,75+,76-,77-,78+,79-/m1/s1
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O[C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3cc2O[C@@H]2OC(COC(=O)/C=C/c3ccc(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)c(O[C@@H]6OC(CO)[C@@H](O)[C@H](O)C6O)c5)[C@@H](O)[C@H](O)C4O)c(O)c3)[C@@H](O)[C@H](O)C2O[C@@H]2OC(COC(=O)/C=C/c3ccc(O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3)[C@@H](O)[C@H](O)C2O)ccc1O
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Similar chemical compounds in external resources
IdentifierDescription
lipidmaps:LMPK12010232
lipidmapsM:LMPK12010232
Heavenly blue anthocyanin